Add files using upload-large-folder tool
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- .gitattributes +21 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/1 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/10 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/14 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/18 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/2 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/3 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/0 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/1 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/10 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/2 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/3 +3 -0
- fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/9 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/12 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/20 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/22 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/4 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/5 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/6 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/pair_mulliken_ovlp_index/c/0/0 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/scalar_f8/c/0/0 +3 -0
- fullC/p2/pdb_fragments_300K/group_002.zarr/vec/c/0/0 +3 -0
- occC/p2/dna/group_000.zarr/atom_offsets/c/0 +0 -0
- occC/p2/dna/group_000.zarr/flags/c/0/0 +0 -0
- occC/p2/dna/group_000.zarr/gbw_eps_a_offsets/c/0 +0 -0
- occC/p2/dna/group_000.zarr/gbw_occ_a_offsets/c/0 +0 -0
- occC/p2/dna/group_000.zarr/mo_i/c/0/0 +0 -0
- occC/p2/dna/group_000.zarr/pair_mayer_bo_index/c/0/0 +0 -0
- occC/p2/dna/group_000.zarr/pair_mayer_bo_offsets/c/0 +0 -0
- occC/p2/dna/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_f8/zarr.json +68 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_offsets/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_offsets/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_shell/zarr.json +68 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_z/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_z/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_a/zarr.json +55 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_a_offsets/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_a_offsets/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_b/zarr.json +55 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_b_offsets/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_b_offsets/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_a/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_a_offsets/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_a_offsets/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_b/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_b_offsets/c/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_b_offsets/zarr.json +65 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/flags/c/0/0 +0 -0
- occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/flags/zarr.json +65 -0
.gitattributes
CHANGED
|
@@ -2865,3 +2865,24 @@ fullC/p2/pdb_fragments_300K/group_002.zarr/gbw_eps_a/c/0 filter=lfs diff=lfs mer
|
|
| 2865 |
fullC/p2/pdb_fragments_300K/group_002.zarr/pair_mayer_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text
|
| 2866 |
fullC/p2/pdb_fragments_300K/group_002.zarr/atom_shell/c/0/0 filter=lfs diff=lfs merge=lfs -text
|
| 2867 |
fullC/p2/pdb_fragments_300K/group_002.zarr/pair_loewdin_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 2865 |
fullC/p2/pdb_fragments_300K/group_002.zarr/pair_mayer_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text
|
| 2866 |
fullC/p2/pdb_fragments_300K/group_002.zarr/atom_shell/c/0/0 filter=lfs diff=lfs merge=lfs -text
|
| 2867 |
fullC/p2/pdb_fragments_300K/group_002.zarr/pair_loewdin_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text
|
| 2868 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/10 filter=lfs diff=lfs merge=lfs -text
|
| 2869 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/14 filter=lfs diff=lfs merge=lfs -text
|
| 2870 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/pair_mulliken_ovlp_index/c/0/0 filter=lfs diff=lfs merge=lfs -text
|
| 2871 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/vec/c/0/0 filter=lfs diff=lfs merge=lfs -text
|
| 2872 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/scalar_f8/c/0/0 filter=lfs diff=lfs merge=lfs -text
|
| 2873 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/9 filter=lfs diff=lfs merge=lfs -text
|
| 2874 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/1 filter=lfs diff=lfs merge=lfs -text
|
| 2875 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/10 filter=lfs diff=lfs merge=lfs -text
|
| 2876 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/2 filter=lfs diff=lfs merge=lfs -text
|
| 2877 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/0 filter=lfs diff=lfs merge=lfs -text
|
| 2878 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/3 filter=lfs diff=lfs merge=lfs -text
|
| 2879 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/1 filter=lfs diff=lfs merge=lfs -text
|
| 2880 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/22 filter=lfs diff=lfs merge=lfs -text
|
| 2881 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/2 filter=lfs diff=lfs merge=lfs -text
|
| 2882 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/3 filter=lfs diff=lfs merge=lfs -text
|
| 2883 |
+
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/18 filter=lfs diff=lfs merge=lfs -text
|
| 2884 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/5 filter=lfs diff=lfs merge=lfs -text
|
| 2885 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/6 filter=lfs diff=lfs merge=lfs -text
|
| 2886 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/20 filter=lfs diff=lfs merge=lfs -text
|
| 2887 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/4 filter=lfs diff=lfs merge=lfs -text
|
| 2888 |
+
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/12 filter=lfs diff=lfs merge=lfs -text
|
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/1
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:138dba8586fbd15c2971d00c8ac6fc3e5cff46170990de546f68151a936eba44
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/10
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1bd3cebaa1b3d3aed3095aea2da54cddefb95c0ff8960888f3f0d94b673f26f3
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/14
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5d33b03bf1e3c16e784bb378780d8f977152fc5a206b727fb02e4e0659d11f65
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/18
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a0c049358b3f16caff0d9d74aefb2e32c21173190e4613f4f915091d066245c2
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/2
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3cf8cc82072fa88dd9414d828a2617c2e96037f1dc5d10efdd2b838d432e203f
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_000.zarr/cmo_a/c/3
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:3b9c0e1e633909de741b66150c954086033fbc30cfe92a2273709c69e860f4ef
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/0
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2fbb8d1dee6c8f2b0c4afe065f350b4ebc1abd6a3306175d4871373ac81641d3
|
| 3 |
+
size 279202316
|
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/1
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:f1526cbbc3ad64c3de037e286e7283de225131bee48a4c966396b420b80206fe
|
| 3 |
+
size 267572889
|
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/10
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:115a463e3650af206534c68b97677153a4526a7f9e3b2701b303ffc76db7f445
|
| 3 |
+
size 275066849
|
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/2
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:5bd8464be76eab2217b39998413b6f4ea8d7318823e55256f8e42b957ad1eb0b
|
| 3 |
+
size 284671652
|
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/3
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:bf2c6a08fec8d06a590d2304434bdf4a5d9432142d30242dcc2adb9e2b8435d1
|
| 3 |
+
size 287515132
|
fullC/p2/pdb_fragments_300K/group_000.zarr/fock_a/c/9
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4c1ac165d82ba54b956df04235896e4732e1aadb4f1c4c71cda962656bc00763
|
| 3 |
+
size 280292418
|
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/12
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:33206105d90a9dbf898d4fb2896a9e35a602b966f12c7f2b36f2a00e78ebae58
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/20
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a36a078f40e25d8955d739ffd91d75651d505e3241d895ee01d9a9f1d1e46925
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/22
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:b2d51f40328e96ae0cf60ac551e944feb9c78a1a1578ea678bcf4c3e15e4c96b
|
| 3 |
+
size 184550404
|
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/4
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:94a89341c007114a056de424c41c1ed2d463772ca53322aaa24114eabb342121
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/5
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0f1620f0cfd1fed597ed53f34cd65fd9899598d1ea52aed17e3313c3066fa67a
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_002.zarr/cmo_a/c/6
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:62f6a18031c26ca2c66dd87b5f1224b982184e79fb4a751a9c773e29af0ea024
|
| 3 |
+
size 1073742852
|
fullC/p2/pdb_fragments_300K/group_002.zarr/pair_mulliken_ovlp_index/c/0/0
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e33283c04d2852df835de4a73e009d404bb4af9f592463463f544ba64d6ac028
|
| 3 |
+
size 585542
|
fullC/p2/pdb_fragments_300K/group_002.zarr/scalar_f8/c/0/0
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c5454eba166a85687bc144ce7590ffd0f58020d47bd52031696d996ea69f795b
|
| 3 |
+
size 150587
|
fullC/p2/pdb_fragments_300K/group_002.zarr/vec/c/0/0
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ca33156ff46873c45d4de51bce823b90fc47afc0d8c04821ee8f10424fdbbef7
|
| 3 |
+
size 190422
|
occC/p2/dna/group_000.zarr/atom_offsets/c/0
ADDED
|
Binary file (1.24 kB). View file
|
|
|
occC/p2/dna/group_000.zarr/flags/c/0/0
ADDED
|
Binary file (614 Bytes). View file
|
|
|
occC/p2/dna/group_000.zarr/gbw_eps_a_offsets/c/0
ADDED
|
Binary file (1.28 kB). View file
|
|
|
occC/p2/dna/group_000.zarr/gbw_occ_a_offsets/c/0
ADDED
|
Binary file (1.28 kB). View file
|
|
|
occC/p2/dna/group_000.zarr/mo_i/c/0/0
ADDED
|
Binary file (2.58 kB). View file
|
|
|
occC/p2/dna/group_000.zarr/pair_mayer_bo_index/c/0/0
ADDED
|
Binary file (85.5 kB). View file
|
|
|
occC/p2/dna/group_000.zarr/pair_mayer_bo_offsets/c/0
ADDED
|
Binary file (1.18 kB). View file
|
|
|
occC/p2/dna/group_000.zarr/pair_mulliken_ovlp_offsets/c/0
ADDED
|
Binary file (1.24 kB). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_f8/zarr.json
ADDED
|
@@ -0,0 +1,68 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
104642,
|
| 4 |
+
21
|
| 5 |
+
],
|
| 6 |
+
"data_type": "float64",
|
| 7 |
+
"chunk_grid": {
|
| 8 |
+
"name": "regular",
|
| 9 |
+
"configuration": {
|
| 10 |
+
"chunk_shape": [
|
| 11 |
+
110259,
|
| 12 |
+
21
|
| 13 |
+
]
|
| 14 |
+
}
|
| 15 |
+
},
|
| 16 |
+
"chunk_key_encoding": {
|
| 17 |
+
"name": "default",
|
| 18 |
+
"configuration": {
|
| 19 |
+
"separator": "/"
|
| 20 |
+
}
|
| 21 |
+
},
|
| 22 |
+
"fill_value": 0.0,
|
| 23 |
+
"codecs": [
|
| 24 |
+
{
|
| 25 |
+
"name": "sharding_indexed",
|
| 26 |
+
"configuration": {
|
| 27 |
+
"chunk_shape": [
|
| 28 |
+
12251,
|
| 29 |
+
21
|
| 30 |
+
],
|
| 31 |
+
"codecs": [
|
| 32 |
+
{
|
| 33 |
+
"name": "bytes",
|
| 34 |
+
"configuration": {
|
| 35 |
+
"endian": "little"
|
| 36 |
+
}
|
| 37 |
+
},
|
| 38 |
+
{
|
| 39 |
+
"name": "blosc",
|
| 40 |
+
"configuration": {
|
| 41 |
+
"typesize": 8,
|
| 42 |
+
"cname": "zstd",
|
| 43 |
+
"clevel": 5,
|
| 44 |
+
"shuffle": "shuffle",
|
| 45 |
+
"blocksize": 0
|
| 46 |
+
}
|
| 47 |
+
}
|
| 48 |
+
],
|
| 49 |
+
"index_codecs": [
|
| 50 |
+
{
|
| 51 |
+
"name": "bytes",
|
| 52 |
+
"configuration": {
|
| 53 |
+
"endian": "little"
|
| 54 |
+
}
|
| 55 |
+
},
|
| 56 |
+
{
|
| 57 |
+
"name": "crc32c"
|
| 58 |
+
}
|
| 59 |
+
],
|
| 60 |
+
"index_location": "end"
|
| 61 |
+
}
|
| 62 |
+
}
|
| 63 |
+
],
|
| 64 |
+
"attributes": {},
|
| 65 |
+
"zarr_format": 3,
|
| 66 |
+
"node_type": "array",
|
| 67 |
+
"storage_transformers": []
|
| 68 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_offsets/c/0
ADDED
|
Binary file (2.17 kB). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_offsets/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
1201
|
| 4 |
+
],
|
| 5 |
+
"data_type": "int64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
1201
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
1201
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_shell/zarr.json
ADDED
|
@@ -0,0 +1,68 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
104642,
|
| 4 |
+
25
|
| 5 |
+
],
|
| 6 |
+
"data_type": "float32",
|
| 7 |
+
"chunk_grid": {
|
| 8 |
+
"name": "regular",
|
| 9 |
+
"configuration": {
|
| 10 |
+
"chunk_shape": [
|
| 11 |
+
110259,
|
| 12 |
+
25
|
| 13 |
+
]
|
| 14 |
+
}
|
| 15 |
+
},
|
| 16 |
+
"chunk_key_encoding": {
|
| 17 |
+
"name": "default",
|
| 18 |
+
"configuration": {
|
| 19 |
+
"separator": "/"
|
| 20 |
+
}
|
| 21 |
+
},
|
| 22 |
+
"fill_value": 0.0,
|
| 23 |
+
"codecs": [
|
| 24 |
+
{
|
| 25 |
+
"name": "sharding_indexed",
|
| 26 |
+
"configuration": {
|
| 27 |
+
"chunk_shape": [
|
| 28 |
+
12251,
|
| 29 |
+
25
|
| 30 |
+
],
|
| 31 |
+
"codecs": [
|
| 32 |
+
{
|
| 33 |
+
"name": "bytes",
|
| 34 |
+
"configuration": {
|
| 35 |
+
"endian": "little"
|
| 36 |
+
}
|
| 37 |
+
},
|
| 38 |
+
{
|
| 39 |
+
"name": "blosc",
|
| 40 |
+
"configuration": {
|
| 41 |
+
"typesize": 4,
|
| 42 |
+
"cname": "zstd",
|
| 43 |
+
"clevel": 5,
|
| 44 |
+
"shuffle": "shuffle",
|
| 45 |
+
"blocksize": 0
|
| 46 |
+
}
|
| 47 |
+
}
|
| 48 |
+
],
|
| 49 |
+
"index_codecs": [
|
| 50 |
+
{
|
| 51 |
+
"name": "bytes",
|
| 52 |
+
"configuration": {
|
| 53 |
+
"endian": "little"
|
| 54 |
+
}
|
| 55 |
+
},
|
| 56 |
+
{
|
| 57 |
+
"name": "crc32c"
|
| 58 |
+
}
|
| 59 |
+
],
|
| 60 |
+
"index_location": "end"
|
| 61 |
+
}
|
| 62 |
+
}
|
| 63 |
+
],
|
| 64 |
+
"attributes": {},
|
| 65 |
+
"zarr_format": 3,
|
| 66 |
+
"node_type": "array",
|
| 67 |
+
"storage_transformers": []
|
| 68 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_z/c/0
ADDED
|
Binary file (16.3 kB). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/atom_z/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
104642
|
| 4 |
+
],
|
| 5 |
+
"data_type": "int16",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
110259
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
12251
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 2,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_a/zarr.json
ADDED
|
@@ -0,0 +1,55 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
615887613
|
| 4 |
+
],
|
| 5 |
+
"data_type": "float32",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
616562688
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0.0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
4194304
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
}
|
| 35 |
+
],
|
| 36 |
+
"index_codecs": [
|
| 37 |
+
{
|
| 38 |
+
"name": "bytes",
|
| 39 |
+
"configuration": {
|
| 40 |
+
"endian": "little"
|
| 41 |
+
}
|
| 42 |
+
},
|
| 43 |
+
{
|
| 44 |
+
"name": "crc32c"
|
| 45 |
+
}
|
| 46 |
+
],
|
| 47 |
+
"index_location": "end"
|
| 48 |
+
}
|
| 49 |
+
}
|
| 50 |
+
],
|
| 51 |
+
"attributes": {},
|
| 52 |
+
"zarr_format": 3,
|
| 53 |
+
"node_type": "array",
|
| 54 |
+
"storage_transformers": []
|
| 55 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_a_offsets/c/0
ADDED
|
Binary file (3.74 kB). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_a_offsets/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
1201
|
| 4 |
+
],
|
| 5 |
+
"data_type": "int64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
1201
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
1201
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_b/zarr.json
ADDED
|
@@ -0,0 +1,55 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
12467061
|
| 4 |
+
],
|
| 5 |
+
"data_type": "float32",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
12582912
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0.0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
4194304
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
}
|
| 35 |
+
],
|
| 36 |
+
"index_codecs": [
|
| 37 |
+
{
|
| 38 |
+
"name": "bytes",
|
| 39 |
+
"configuration": {
|
| 40 |
+
"endian": "little"
|
| 41 |
+
}
|
| 42 |
+
},
|
| 43 |
+
{
|
| 44 |
+
"name": "crc32c"
|
| 45 |
+
}
|
| 46 |
+
],
|
| 47 |
+
"index_location": "end"
|
| 48 |
+
}
|
| 49 |
+
}
|
| 50 |
+
],
|
| 51 |
+
"attributes": {},
|
| 52 |
+
"zarr_format": 3,
|
| 53 |
+
"node_type": "array",
|
| 54 |
+
"storage_transformers": []
|
| 55 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_b_offsets/c/0
ADDED
|
Binary file (342 Bytes). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/cmo_b_offsets/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
1201
|
| 4 |
+
],
|
| 5 |
+
"data_type": "int64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
1201
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
1201
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_a/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
2514509
|
| 4 |
+
],
|
| 5 |
+
"data_type": "float64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
2691531
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0.0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
299059
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_a_offsets/c/0
ADDED
|
Binary file (2.55 kB). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_a_offsets/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
1201
|
| 4 |
+
],
|
| 5 |
+
"data_type": "int64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
1201
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
1201
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_b/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
71460
|
| 4 |
+
],
|
| 5 |
+
"data_type": "float64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
72792
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0.0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
4044
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_b_offsets/c/0
ADDED
|
Binary file (251 Bytes). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/eps_b_offsets/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
1201
|
| 4 |
+
],
|
| 5 |
+
"data_type": "int64",
|
| 6 |
+
"chunk_grid": {
|
| 7 |
+
"name": "regular",
|
| 8 |
+
"configuration": {
|
| 9 |
+
"chunk_shape": [
|
| 10 |
+
1201
|
| 11 |
+
]
|
| 12 |
+
}
|
| 13 |
+
},
|
| 14 |
+
"chunk_key_encoding": {
|
| 15 |
+
"name": "default",
|
| 16 |
+
"configuration": {
|
| 17 |
+
"separator": "/"
|
| 18 |
+
}
|
| 19 |
+
},
|
| 20 |
+
"fill_value": 0,
|
| 21 |
+
"codecs": [
|
| 22 |
+
{
|
| 23 |
+
"name": "sharding_indexed",
|
| 24 |
+
"configuration": {
|
| 25 |
+
"chunk_shape": [
|
| 26 |
+
1201
|
| 27 |
+
],
|
| 28 |
+
"codecs": [
|
| 29 |
+
{
|
| 30 |
+
"name": "bytes",
|
| 31 |
+
"configuration": {
|
| 32 |
+
"endian": "little"
|
| 33 |
+
}
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 8,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/flags/c/0/0
ADDED
|
Binary file (1.26 kB). View file
|
|
|
occC/p2/omol/electrolytes/solvated_090624/group_000.zarr/flags/zarr.json
ADDED
|
@@ -0,0 +1,65 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"shape": [
|
| 3 |
+
1200,
|
| 4 |
+
6
|
| 5 |
+
],
|
| 6 |
+
"data_type": "int8",
|
| 7 |
+
"chunk_grid": {
|
| 8 |
+
"name": "regular",
|
| 9 |
+
"configuration": {
|
| 10 |
+
"chunk_shape": [
|
| 11 |
+
1305,
|
| 12 |
+
6
|
| 13 |
+
]
|
| 14 |
+
}
|
| 15 |
+
},
|
| 16 |
+
"chunk_key_encoding": {
|
| 17 |
+
"name": "default",
|
| 18 |
+
"configuration": {
|
| 19 |
+
"separator": "/"
|
| 20 |
+
}
|
| 21 |
+
},
|
| 22 |
+
"fill_value": 0,
|
| 23 |
+
"codecs": [
|
| 24 |
+
{
|
| 25 |
+
"name": "sharding_indexed",
|
| 26 |
+
"configuration": {
|
| 27 |
+
"chunk_shape": [
|
| 28 |
+
145,
|
| 29 |
+
6
|
| 30 |
+
],
|
| 31 |
+
"codecs": [
|
| 32 |
+
{
|
| 33 |
+
"name": "bytes"
|
| 34 |
+
},
|
| 35 |
+
{
|
| 36 |
+
"name": "blosc",
|
| 37 |
+
"configuration": {
|
| 38 |
+
"typesize": 1,
|
| 39 |
+
"cname": "zstd",
|
| 40 |
+
"clevel": 5,
|
| 41 |
+
"shuffle": "shuffle",
|
| 42 |
+
"blocksize": 0
|
| 43 |
+
}
|
| 44 |
+
}
|
| 45 |
+
],
|
| 46 |
+
"index_codecs": [
|
| 47 |
+
{
|
| 48 |
+
"name": "bytes",
|
| 49 |
+
"configuration": {
|
| 50 |
+
"endian": "little"
|
| 51 |
+
}
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"name": "crc32c"
|
| 55 |
+
}
|
| 56 |
+
],
|
| 57 |
+
"index_location": "end"
|
| 58 |
+
}
|
| 59 |
+
}
|
| 60 |
+
],
|
| 61 |
+
"attributes": {},
|
| 62 |
+
"zarr_format": 3,
|
| 63 |
+
"node_type": "array",
|
| 64 |
+
"storage_transformers": []
|
| 65 |
+
}
|