diff --git a/.gitattributes b/.gitattributes index f94b5d79acb12743737f1ac3864592795ff774b8..c1a6b46bafe952bd15ff8f0f53c96b4e8ce103b4 100644 --- a/.gitattributes +++ b/.gitattributes @@ -3044,3 +3044,45 @@ fullC/p2/pdb_fragments_400K/group_000.zarr/cmo_a/c/1 filter=lfs diff=lfs merge=l fullC/p2/pdb_fragments_400K/group_000.zarr/cmo_a/c/18 filter=lfs diff=lfs merge=lfs -text fullC/p2/pdb_fragments_400K/group_000.zarr/cmo_a/c/3 filter=lfs diff=lfs merge=lfs -text fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/17 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/4 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/5 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/6 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/pair_loewdin_bo_index/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/eps_a/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/12 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/8 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/11 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/7 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/16 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/13 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/15 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/14 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/9 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_value/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/atom_f8/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mayer_bo_index/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/10 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/gbw_eps_a/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/vec/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/atom_shell/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/pair_loewdin_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_index/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_f8/c/0/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/8 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/4 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/6 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/5 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/7 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/0 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/2 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/1 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/3 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/1 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/2 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/3 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/4 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/6 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/20 filter=lfs diff=lfs merge=lfs -text +fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/5 filter=lfs diff=lfs merge=lfs -text diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/atom_shell/c/0/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/atom_shell/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..cc6e5fabb6a050b9846da46f00d3d2e39e6e7164 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/atom_shell/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4171acef215753299c242f5d8df2ffa0f4d5117ddcb5e06e357afcdfacd9f835 +size 2270530 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/20 b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/20 new file mode 100644 index 0000000000000000000000000000000000000000..5477945942e90a66564200f301c7b93d6540e2e2 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/20 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5571fd9920c07dd77e1ef52388342a4d52d393137a086add05512a4eb1268fae +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/4 b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/4 new file mode 100644 index 0000000000000000000000000000000000000000..37b521c730748604a279ae0eda056fabcf539a17 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/4 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:384db725ac3dce2f92bae0569f59a0eca05dc86a2ec1cd87ea2728468d3c66f5 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/5 b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/5 new file mode 100644 index 0000000000000000000000000000000000000000..defb6ef4c2229eec03be1ce09b2ad781b6ec951a --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/5 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30376fd289cf38973670b6d1731874c094a7e791a2a80e609e8cb34bd18a3bfb +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/6 b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/6 new file mode 100644 index 0000000000000000000000000000000000000000..991641cf8499e6baeebb014786d5974224eab7e1 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/cmo_a/c/6 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:672fec5b8f6b943e3542907c1cd09107654f86f20370761cc783148e41b10fe1 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/gbw_eps_a/c/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/gbw_eps_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..d558b7582ef82abb8a3718561b240b3322bdfd29 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/gbw_eps_a/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e6f20a6956ff6eca2b5d75ebf0db20d59e11af31c3585adfeb02a47fb82edc0e +size 13913074 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_loewdin_bo_value/c/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_loewdin_bo_value/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..7dedc81813400698c9b047feab46023194138b00 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_loewdin_bo_value/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b76a55e4c18739dc3fd07103245247551bd2044925f5f6a01b0a62b7ab51672 +size 1046266 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_value/c/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_value/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..0bc27afde38e153a88f37d6ca8c958a365390752 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mayer_bo_value/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4689844a0a05d025d79a2c970b7511f81d19556c44760e86b73f23fe966dc64c +size 620652 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_index/c/0/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_index/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..43da36382246b2e93c5ee20c64dc7c7d004d55a8 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/pair_mulliken_ovlp_index/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0f97cb888d3d2732a45f0456c5b265d90adc711d7771777347eef6ad1e7ee8a +size 628570 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_f8/c/0/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_f8/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..aef5108e29a8ab2f4a2c067ec27b7ccbcaacb49d --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/scalar_f8/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0857d60a92ad3b6b2a751191f86a1d362e5f891208d0579b752e6ff3ddc4ebab +size 170518 diff --git a/fullC/p2/pdb_fragments_400K/group_001.zarr/vec/c/0/0 b/fullC/p2/pdb_fragments_400K/group_001.zarr/vec/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..716f8e1e024528c14f221b72939694a6271380b0 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_001.zarr/vec/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:966d57c86a75f4130f674d766b00e178f424a37caa09ab5e9c90722e1c207688 +size 217025 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/atom_f8/c/0/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/atom_f8/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..04b3f6459fb83724ec86d8263b2c3ceeda65aead --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/atom_f8/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37108a2dc9f0ee1ea048db20cdf2eb108ac89e42fa813be38c691d968716b544 +size 6950359 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..c233162d7e93309079e853ad324a0ca0de4bf528 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:36fb52d6edf82aa1ee96047053c6f0f247b2c93389cf99353cbdf08496d2acc3 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/1 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/1 new file mode 100644 index 0000000000000000000000000000000000000000..178b5e9838c3d6266e5d88b669dd323e8a9d51fe --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/1 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0fb0f1c158c2b288cf4b3f35d2b8ff1c9f382cf5feaf77ecb648004c726bc056 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/10 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/10 new file mode 100644 index 0000000000000000000000000000000000000000..e1419e3aafb9996066d7ac4927d4aa0aed21a0dd --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/10 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8626b7cf624dd8d9a9c48709d3c68006e91ed4782f2c9ca1f7cd4e3b9c41454 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/11 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/11 new file mode 100644 index 0000000000000000000000000000000000000000..2875fe88ad5f2a1269bef40efab9f6c5502b964f --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/11 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:943f44d0c43f7e6808bd2ba6e8354bcdab7b84881ed196eaf03c9034fa8a8714 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/12 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/12 new file mode 100644 index 0000000000000000000000000000000000000000..afdca6b5df65da591785d3226470d460e9ae2371 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/12 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b4a602a4ecf60ffc2faf836d9dd643549b4e1fa150d0a4ca9f07aea1b02fdaf1 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/13 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/13 new file mode 100644 index 0000000000000000000000000000000000000000..157a5781efb297ca33d00a11e402d2d6a681020c --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/13 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ee58e48e5e6ca6098cb54ef744a90b875861e14a38d75ae9e127bc53854b6fe +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/14 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/14 new file mode 100644 index 0000000000000000000000000000000000000000..b344236b00624dac4dc6ddc636c250001322454e --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/14 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bde8b1ed16dca3a8b4ff9b2698c42078bf7900517c3346b75b65e303ccb138e8 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/15 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/15 new file mode 100644 index 0000000000000000000000000000000000000000..9c099c5b2fc33f821f8438529b0f03fa21ace88e --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/15 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1dfa6418823c1c692344d4b257ba120ff747b6c983defc43556634844bae91a9 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/16 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/16 new file mode 100644 index 0000000000000000000000000000000000000000..81e2a902dcb4480956d4e44a24a0942cf5edb443 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/16 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb1c66f7bc8c06927b5171d91826c8309cef3692c9387e01297c75261d8bf9b6 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/2 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/2 new file mode 100644 index 0000000000000000000000000000000000000000..fbf22d2c8a5805b2617191e6d4fe0bb344fa199c --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/2 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99371e3702512025d9b7307cc957abe352ad6b0e195f2f6eca4e413f704aaaed +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/3 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/3 new file mode 100644 index 0000000000000000000000000000000000000000..5822bb370aa975dedece6632515c3c768dc6c112 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/3 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1edf1c4dfd564c981f708cde562ff9adf17132a3b7894f2644af22f243dd0cda +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/4 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/4 new file mode 100644 index 0000000000000000000000000000000000000000..18ec140d7b8f3d2b209c8890d7a3174b06d8b466 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/4 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e37d1a9c77b01255dc00e725786df6e263e035531548524d9f0e7721b3e5971e +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/5 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/5 new file mode 100644 index 0000000000000000000000000000000000000000..1e042244a9aa085057f6f1e64d1bce8b11f5ab23 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/5 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db2507609be6e01a7f0ea7df96be8cdaa752b284784ac5d7b16339c875acd898 +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/6 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/6 new file mode 100644 index 0000000000000000000000000000000000000000..1ed67de498fdf43c0ca9de891bf52dbdc5e6bf65 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/6 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f6c778e5933830ad37bc46847709f0206807dda4e24338d3e242a217a067ebb +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/7 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/7 new file mode 100644 index 0000000000000000000000000000000000000000..5d71b19e5b6e13eb021da9aef554200b8e0fa358 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/7 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ecfe76e46437539b85fb12600b819b28109471a32fa44e6d72f156bfdbd15eec +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/8 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/8 new file mode 100644 index 0000000000000000000000000000000000000000..a781067eee9c5e92eba3116b6e5d74ce62877f64 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/8 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1516f1fa4305311c0b583ba7b50a051962987fcfa06c116f8df5b8a5ee4e9d5f +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/9 b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/9 new file mode 100644 index 0000000000000000000000000000000000000000..50e3670004be03822f24c0b2538f052054268f17 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/cmo_a/c/9 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a2fe3ff4c3323c504f59f886765a5384d1bc22d7ad425054affce30d4f5e603a +size 1073742852 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/eps_a/c/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/eps_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..5827931249a637c0be7cd5939a82182785675a7c --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/eps_a/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc9555caaca2a629412cc260c290f141091f765698f36630c14172021cb000a9 +size 9793022 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..437c24ba0adda3c6895c60ef3476d8f82fc57060 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86cc6b1c63ca63815baa771bd30abecee49344c6994d0ee10d8ab3a00e3bf6b4 +size 283525570 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/1 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/1 new file mode 100644 index 0000000000000000000000000000000000000000..1e7694a882410a2e853b21f74c250fd6d01039c8 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/1 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87ab68ebc1bd8d7cfcd400a0610aa38a0b485fd1b335c12f3901e671753f5ac1 +size 277626892 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/2 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/2 new file mode 100644 index 0000000000000000000000000000000000000000..3edaad3ee4cd7ee45198d2a3917774d935bc7037 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/2 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ae57eb1473c41f2bc5a1fc9d1e41e48433bcf4f10394ec5825f08bcfda940cd1 +size 272561266 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/3 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/3 new file mode 100644 index 0000000000000000000000000000000000000000..35c4a5170a0a217fe8a2f52766c4c6919fce7886 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/3 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d6b9fd0d7dfb021eb4d68fb8234e32b69a0588ee63f0cbc92eab27f83fa2f199 +size 268904415 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/4 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/4 new file mode 100644 index 0000000000000000000000000000000000000000..c3c635d0728f01f38d8e55ece557cccd0650ddb6 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/4 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:defc315659fe149994e3b897756bd8dfa446b1fcb37f8df4d43f10d599cda14c +size 275771554 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/5 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/5 new file mode 100644 index 0000000000000000000000000000000000000000..f124c3e5c345243d8f8409f55cacff0289372921 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/5 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0caf7ee4196984442cf2d914036379a8de25c5d65914ab2704a1d02725c8f5a5 +size 282842528 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/6 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/6 new file mode 100644 index 0000000000000000000000000000000000000000..590ae8685966b588faf36317ea0d4d5600df5c7c --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/6 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77b167e0e4756c733099d511f6b5ff0122ee692065021a730e88e10d89685dda +size 279347748 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/7 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/7 new file mode 100644 index 0000000000000000000000000000000000000000..5a52f072b2e71892ffb6890289fe8638274b2e1f --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/7 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9321b3af85e9033ff1fde884c0984a7886d24c05b9ed95758f55339cd0d5c822 +size 276552832 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/8 b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/8 new file mode 100644 index 0000000000000000000000000000000000000000..e039e7a4a9a32efd4ab376b22890b648d432ceb0 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/fock_a/c/8 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b098720bb817e5f2b5d109d4a5482ed0fa4802fdff6a74a795028a2d7c6c16e9 +size 173649591 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_loewdin_bo_index/c/0/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_loewdin_bo_index/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..8904c11793aeeef8e0a4c9d7ad028fe55e5d40db --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_loewdin_bo_index/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:95320ea18d0b98df48933a02da4722ca560f71823f00d3aed3e501c241590323 +size 204696 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mayer_bo_index/c/0/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mayer_bo_index/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..c5d0d6d856c9d79204c78bdf04204f60b0ed6d77 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mayer_bo_index/c/0/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f8ceb0d25328d4556ba7ce0fae0e458f3f05cfc46774c2c39f29f0d2b5ef4d0 +size 150460 diff --git a/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_value/c/0 b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_value/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..713e6e186571a2fb3103406d2f01cc6dcb71c279 --- /dev/null +++ b/fullC/p2/pdb_fragments_400K/group_002.zarr/pair_mulliken_ovlp_value/c/0 @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9bd4f81957bbfde300e129440ba7ac7d552dc445a80e904cb4667e7579ec0b0f +size 1383921 diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/atom_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/atom_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..22f5247460793c2b0644724207c15de326a02fe6 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/atom_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/cmo_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/cmo_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..768035da2c6772aeb3338df0520336238639173d Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/cmo_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/flags/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/flags/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..e56b7bdd794dbbf0eac6869dfa6f3361ea27a0ba Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/flags/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/fock_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/fock_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..cfcbfe63be992ae7d8deda10a8b126da7980bc85 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/fock_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_eps_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_eps_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..30bebdf76279d4c61a99856fda228bf59fb0bbb8 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_eps_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_eps_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_eps_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..68811eccbafb367a569e2d748f76f74a66dce88c Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_eps_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_occ_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_occ_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..30bebdf76279d4c61a99856fda228bf59fb0bbb8 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_occ_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_occ_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_occ_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..68811eccbafb367a569e2d748f76f74a66dce88c Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/gbw_occ_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_f8/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_f8/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..52125726b175f9bf669fb5f319f7a50df02220b5 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_f8/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_flags/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_flags/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..cd391fc7d80076e0ddf5aacacdb1d8a71ec3c0d1 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_flags/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_i/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_i/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..60742067fd6d17ecb1d0a1008cea390ef563af61 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/mo_i/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/occ_a/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/occ_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..16493eb53ddb5bb3f8419b97e377bb48c85fa35a Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/occ_a/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/occ_b/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/occ_b/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..aabdce0187f41052e4ab2c8a75e5a03a9b1823eb Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/occ_b/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_loewdin_bo_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_loewdin_bo_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..6ac142e311fe5d38adefdcef0402e2590b01c4e0 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_loewdin_bo_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_mayer_bo_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_mayer_bo_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..63b39cf186910c746738b64490594129b3233222 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_mayer_bo_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..6fca6454ef697e3a40e9c73ad2b7661c06e0f6d4 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_000.zarr/scalar_i/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_000.zarr/scalar_i/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..33d84c13cffc5ef9478386893b72cdf6781c962c Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_000.zarr/scalar_i/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_f8/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_f8/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8a801c11a3157761d07d2467247244b6c397984e --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_f8/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 105331, + 21 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 116490, + 21 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 11649, + 21 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_shell/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_shell/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..302d23e84eeabc41796de1d70912bf5887b99cc0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_shell/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 105331, + 25 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 116490, + 25 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 11649, + 25 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_z/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_z/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..1190d35d1099d84590813cc1283e063f0068ab8a Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_z/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_z/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_z/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..e6c8e4f28d37d8a8b8e615c5350c4e63a20b6120 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/atom_z/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 105331 + ], + "data_type": "int16", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 116490 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 11649 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 2, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..4b5b028ca011b42c8c6f31bc0e63042eccfbba98 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/zarr.json @@ -0,0 +1,55 @@ +{ + "shape": [ + 540752710 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 541065216 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 4194304 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..480939e93683a4616f0357e22630eef2235d64ab Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..0cd41c6665a534b9213851a0838a4d91c1e15dbd --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_b/zarr.json @@ -0,0 +1,55 @@ +{ + "shape": [ + 58443190 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 58720256 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 4194304 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..38568dac532751b19cd6553e8c095fe1f42e1a32 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2379295 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2382696 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 264744 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..6293cbb7c0763820bcb19d01418f5abf683b78aa Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8ffc742ac399408498ff896494a0ca8a0a10c512 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 299363 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 321464 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 29224 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..7d0d3dea64588439fb566868bd3a0513c57369d6 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/eps_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/flags/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/flags/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..fa8faa34cb47e80c81c7183ff4ef13b313d8f00c --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/flags/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1254, + 6 + ], + "data_type": "int8", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 6 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 6 + ], + "codecs": [ + { + "name": "bytes" + }, + { + "name": "blosc", + "configuration": { + "typesize": 1, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..f63d6311d26c534e5dd2a28362d46afeebb8714c --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 3083013151 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 64000000 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1000000 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 9, + "shuffle": "bitshuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..0a2ab292196422ac4c2542d2e98d8ebf42870dcd Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..fce6453df2fe3c32b2f8559a54dfdfda83a7fffe --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 307425154 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 64000000 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1000000 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 9, + "shuffle": "bitshuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..38568dac532751b19cd6553e8c095fe1f42e1a32 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2379295 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2382696 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 264744 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8ffc742ac399408498ff896494a0ca8a0a10c512 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 299363 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 321464 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 29224 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_eps_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..820b4a320bbab3c0657771d3d49b21c9ba70973d Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..38568dac532751b19cd6553e8c095fe1f42e1a32 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2379295 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2382696 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 264744 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b/c/0 b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..a521ddda7b1f722a3c5571f51a39ac8c9e85ec47 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8ffc742ac399408498ff896494a0ca8a0a10c512 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 299363 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 321464 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 29224 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/gbw_occ_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_f8/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_f8/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..3bc461b14ab0aa90d8f4a485f51623969645edd0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_f8/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1254, + 10 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 10 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 10 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_flags/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_flags/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..b97a7acf322d320d2bc74a80150f474f6d2cb0a0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_flags/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1254, + 11 + ], + "data_type": "int8", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 11 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 11 + ], + "codecs": [ + { + "name": "bytes" + }, + { + "name": "blosc", + "configuration": { + "typesize": 1, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_i/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_i/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..72e5add830f7132428bc8f1aa42c20c2d81d573a --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/mo_i/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1254, + 4 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 4 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 4 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/occ_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/occ_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..38568dac532751b19cd6553e8c095fe1f42e1a32 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/occ_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2379295 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2382696 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 264744 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/occ_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/occ_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8ffc742ac399408498ff896494a0ca8a0a10c512 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/occ_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 299363 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 321464 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 29224 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_index/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_index/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..22d0a1916576c76e7245253c8daaae8c1201527a --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_index/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 302222, + 2 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 333350, + 2 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 33335, + 2 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_value/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_value/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..73cbd19eee624ff608635e13e1bd92e02ef31972 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_loewdin_bo_value/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 302222 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 333350 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 33335 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_index/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_index/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..f295338a96365fbbad20d6bd1f6738c3e2747d90 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_index/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 158655, + 2 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 168120, + 2 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 16812, + 2 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_value/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_value/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..c00f387b0929476b63045ff214e720e56b080be5 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_value/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 158655 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 168120 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 16812 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_index/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_index/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..d64c283b582d3520ddedc6c06d3894ce3cbfc0c7 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_index/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 513782, + 2 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 548840, + 2 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 54884, + 2 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7717994f2addeacc4af5450661d2ea3ab1057cf0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1255 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1255 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1255 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_value/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_value/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..df7ffb3663bc0d5392093a007fbf12795a50afcf --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_value/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 513782 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 548840 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 54884 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/scalar_f8/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/scalar_f8/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..7700f5e19e68254e1e6f459c0baea4fef1be4df0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/scalar_f8/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1254, + 38 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 38 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 38 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/scalar_i/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/scalar_i/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..56d74ceace4e61b06e97ac5db60a234ddfb37a23 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/scalar_i/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1254, + 8 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 8 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 8 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_001.zarr/vec/zarr.json b/occC/p2/omol/electrolytes/md_based/group_001.zarr/vec/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..096f1f66a4ba3da79ac8696548f7f2b4fce7c0d4 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_001.zarr/vec/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1254, + 36 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1340, + 36 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 134, + 36 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_f8/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_f8/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..364d692def2c2e28551598ce6757d465e0d1ff5c --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_f8/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 98040, + 21 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 106090, + 21 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 10609, + 21 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..75e64dc7c005bfb8bc255e6c314de8eeebb614f7 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_shell/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_shell/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..55067338198b154d3d46f9063502bad31a9f0dac --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_shell/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 98040, + 25 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 106090, + 25 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 10609, + 25 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_z/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_z/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..816de2da2547b1f427c771ead8ac984b936767a6 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_z/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_z/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_z/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8174407043a5f840f2b8ff793b06c3b2a74815cf --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/atom_z/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 98040 + ], + "data_type": "int16", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 106090 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 10609 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 2, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..3cffd4363b877545c91ea4d84266185b35cd6605 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a/zarr.json @@ -0,0 +1,55 @@ +{ + "shape": [ + 501973425 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 503316480 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 4194304 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..d36107840150b19d5edb1e14226665aff2b0805a Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..76445682b9ece6b7f7f74e7dbf83166ef699c2f3 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b/zarr.json @@ -0,0 +1,55 @@ +{ + "shape": [ + 57682705 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 58720256 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 4194304 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..d0de62f6289474e844dc30f328160851a807b5ac Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/cmo_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a6f1985127dabdf7318dd11b8702259352982584 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2229983 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2434470 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 243447 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..dc320cb927b278a95fc36afeb408a1c82dc3155d Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..49e8e661d626a09796792dfbc51e6f8b095d7748 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 288808 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 309130 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 30913 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..2f868f56f489d3dbb86d705441bea5c09cbaa245 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/eps_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/flags/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/flags/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..f6feedefbe5a9612c95cd05209f58db36f31bbfb Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/flags/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/flags/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/flags/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..f1e6e6725994b9c74a0263e0cef5ccaf3f833caf --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/flags/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1145, + 6 + ], + "data_type": "int8", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 6 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 6 + ], + "codecs": [ + { + "name": "bytes" + }, + { + "name": "blosc", + "configuration": { + "typesize": 1, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..ca709d96946f28260de2e4ea9d9645782f786e11 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2846156660 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 64000000 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1000000 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 9, + "shuffle": "bitshuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..cda122558fa50f7b4f4875ea8bc99bc69503a09c Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a699d5fcf84a08964f56825eaf86b0dcd3737778 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 309904906 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 64000000 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1000000 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 9, + "shuffle": "bitshuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..fc5968cbf3c1f286511ee83abe2f01da5fe99f33 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/fock_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a6f1985127dabdf7318dd11b8702259352982584 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2229983 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2434470 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 243447 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..dc320cb927b278a95fc36afeb408a1c82dc3155d Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..49e8e661d626a09796792dfbc51e6f8b095d7748 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 288808 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 309130 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 30913 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..2f868f56f489d3dbb86d705441bea5c09cbaa245 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_eps_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..88839a0a84ad831c2c1a44356673be2e65b9a8c1 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a6f1985127dabdf7318dd11b8702259352982584 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2229983 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2434470 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 243447 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..dc320cb927b278a95fc36afeb408a1c82dc3155d Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_a_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..5207e481f6a9a38fb109cc10dc7ee43ef48d6597 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..49e8e661d626a09796792dfbc51e6f8b095d7748 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 288808 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 309130 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 30913 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..2f868f56f489d3dbb86d705441bea5c09cbaa245 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/gbw_occ_b_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_f8/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_f8/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..c6481aaed4b9834b5414cc0785ac9f3b654bf9c7 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_f8/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_f8/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_f8/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..874c1036ce523593a9aa61cb90b2b8dff55eca4b --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_f8/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1145, + 10 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 10 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 10 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_flags/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_flags/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..6f6729fe3da90343725df6e0640aef4346f5a158 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_flags/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_flags/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_flags/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..31ed79f793f4926ba04af8714b06b340382abe19 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_flags/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1145, + 11 + ], + "data_type": "int8", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 11 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 11 + ], + "codecs": [ + { + "name": "bytes" + }, + { + "name": "blosc", + "configuration": { + "typesize": 1, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_i/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_i/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..50747ee2399b244bdaecb3c25f4e1de2b937c135 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_i/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_i/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_i/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a98d8d43b295cc47096d6fd4d26f5803b6ffe973 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/mo_i/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1145, + 4 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 4 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 4 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_a/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_a/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..88839a0a84ad831c2c1a44356673be2e65b9a8c1 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_a/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_a/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_a/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a6f1985127dabdf7318dd11b8702259352982584 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_a/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 2229983 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 2434470 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 243447 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_b/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_b/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..5207e481f6a9a38fb109cc10dc7ee43ef48d6597 Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_b/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_b/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_b/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..49e8e661d626a09796792dfbc51e6f8b095d7748 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/occ_b/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 288808 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 309130 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 30913 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_index/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_index/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..a7d2616adea620f4d341499ce750978bb8fa9609 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_index/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 283194, + 2 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 308630, + 2 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 30863, + 2 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..0edb860e7aa6ad749e99a06fe8cd34d8564da29b Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_value/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_value/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8804ba0b85ec42002e5670ad6d120a69ad72e2d0 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_loewdin_bo_value/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 283194 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 308630 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 30863 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_index/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_index/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..d69b1764097db4e5a5dd440a18e10df633f2aee5 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_index/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 145028, + 2 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 146646, + 2 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 16294, + 2 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..90169e16026172b9b040faa809037f40240a424c Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_value/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_value/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..0b5e0c012c46c6372430b96ff898c4948d061a1c --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mayer_bo_value/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 145028 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 146646 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 16294 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_index/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_index/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..883d5ce78eb6760c7531b19447374d4142f97aa7 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_index/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 476498, + 2 + ], + "data_type": "int32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 489348, + 2 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 54372, + 2 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_offsets/c/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_offsets/c/0 new file mode 100644 index 0000000000000000000000000000000000000000..9859f1177a712d4291339f1f79e89689578ce9ec Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_offsets/c/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_offsets/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_offsets/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..8cce31a29729c297cdc200917b585f0438f4ae42 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_offsets/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 1146 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1146 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 1146 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_value/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_value/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..9f183528fdb8a1e6bd452ec19f37b6958a5ba5cb --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/pair_mulliken_ovlp_value/zarr.json @@ -0,0 +1,65 @@ +{ + "shape": [ + 476498 + ], + "data_type": "float32", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 489348 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 54372 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 4, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_f8/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_f8/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..24a35ea9a2578f66f4e0f1922f9c062c2f982826 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_f8/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1145, + 38 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 38 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 38 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_i/c/0/0 b/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_i/c/0/0 new file mode 100644 index 0000000000000000000000000000000000000000..704aa3f05a825b40974391da1536451eb8db25ef Binary files /dev/null and b/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_i/c/0/0 differ diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_i/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_i/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..bd6fb5208eff8e2449d0f771e387ba9536d302d9 --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/scalar_i/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1145, + 8 + ], + "data_type": "int64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 8 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 8 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file diff --git a/occC/p2/omol/electrolytes/md_based/group_002.zarr/vec/zarr.json b/occC/p2/omol/electrolytes/md_based/group_002.zarr/vec/zarr.json new file mode 100644 index 0000000000000000000000000000000000000000..6affb3dc23ee6e8a5f34e0cd9a82e12169a43cda --- /dev/null +++ b/occC/p2/omol/electrolytes/md_based/group_002.zarr/vec/zarr.json @@ -0,0 +1,68 @@ +{ + "shape": [ + 1145, + 36 + ], + "data_type": "float64", + "chunk_grid": { + "name": "regular", + "configuration": { + "chunk_shape": [ + 1180, + 36 + ] + } + }, + "chunk_key_encoding": { + "name": "default", + "configuration": { + "separator": "/" + } + }, + "fill_value": 0.0, + "codecs": [ + { + "name": "sharding_indexed", + "configuration": { + "chunk_shape": [ + 118, + 36 + ], + "codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "blosc", + "configuration": { + "typesize": 8, + "cname": "zstd", + "clevel": 5, + "shuffle": "shuffle", + "blocksize": 0 + } + } + ], + "index_codecs": [ + { + "name": "bytes", + "configuration": { + "endian": "little" + } + }, + { + "name": "crc32c" + } + ], + "index_location": "end" + } + } + ], + "attributes": {}, + "zarr_format": 3, + "node_type": "array", + "storage_transformers": [] +} \ No newline at end of file