Hugging Face's logo

Datasets:
ericqu
/
OME

Dataset card Files
xet
 Community
ericqu commited on
Commit
e3acc99
·
verified ·
1 Parent(s): 0063876

Add files using upload-large-folder tool

Browse files
This view is limited to 50 files because it contains too many changes.   See raw diff
Files changed (50) hide show
  1. .gitattributes +38 -0
  2. fullC/p2/omol/electrolytes/md_based/group_001.zarr/atom_f8/c/0/0 +3 -0
  3. fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/1 +3 -0
  4. fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/10 +3 -0
  5. fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/18 +3 -0
  6. fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/3 +3 -0
  7. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/1 +3 -0
  8. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/10 +3 -0
  9. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/14 +3 -0
  10. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/18 +3 -0
  11. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/2 +3 -0
  12. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/24 +3 -0
  13. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/26 +3 -0
  14. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/27 +3 -0
  15. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/3 +3 -0
  16. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/30 +3 -0
  17. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/34 +3 -0
  18. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/35 +3 -0
  19. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/36 +3 -0
  20. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/41 +3 -0
  21. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/43 +3 -0
  22. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/46 +3 -0
  23. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/47 +3 -0
  24. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/0 +3 -0
  25. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/1 +3 -0
  26. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/2 +3 -0
  27. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/3 +3 -0
  28. fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/4 +3 -0
  29. fullC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_index/c/0/0 +3 -0
  30. fullC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_value/c/0 +3 -0
  31. fullC/p2/omol/electrolytes/md_based/group_003.zarr/atom_shell/c/0/0 +3 -0
  32. fullC/p2/omol/electrolytes/md_based/group_003.zarr/eps_b/c/0 +3 -0
  33. fullC/p2/omol/electrolytes/md_based/group_003.zarr/gbw_eps_a/c/0 +3 -0
  34. fullC/p2/omol/electrolytes/md_based/group_003.zarr/gbw_eps_b/c/0 +3 -0
  35. fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_loewdin_bo_value/c/0 +3 -0
  36. fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_mayer_bo_value/c/0 +3 -0
  37. fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_mulliken_ovlp_index/c/0/0 +3 -0
  38. fullC/p2/omol/electrolytes/md_based/group_003.zarr/scalar_f8/c/0/0 +3 -0
  39. fullC/p2/omol/electrolytes/md_based/group_003.zarr/vec/c/0/0 +3 -0
  40. occC/p1/ani2x/group_000.zarr/atom_f8/zarr.json +68 -0
  41. occC/p1/ani2x/group_000.zarr/atom_offsets/c/0 +0 -0
  42. occC/p1/ani2x/group_000.zarr/atom_offsets/zarr.json +65 -0
  43. occC/p1/ani2x/group_000.zarr/atom_shell/zarr.json +68 -0
  44. occC/p1/ani2x/group_000.zarr/atom_z/c/0 +0 -0
  45. occC/p1/ani2x/group_000.zarr/atom_z/zarr.json +65 -0
  46. occC/p1/ani2x/group_000.zarr/flags/c/0/0 +0 -0
  47. occC/p1/ani2x/group_000.zarr/flags/zarr.json +65 -0
  48. occC/p1/ani2x/group_000.zarr/pair_loewdin_bo_index/zarr.json +68 -0
  49. occC/p1/ani2x/group_000.zarr/pair_loewdin_bo_offsets/c/0 +0 -0
  50. occC/p1/ani2x/group_000.zarr/pair_loewdin_bo_offsets/zarr.json +65 -0
.gitattributes CHANGED
@@ -3904,3 +3904,41 @@ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/40 filter=lfs diff=l
3904
  fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/13 filter=lfs diff=lfs merge=lfs -text
3905
  fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/19 filter=lfs diff=lfs merge=lfs -text
3906
  fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/2 filter=lfs diff=lfs merge=lfs -text
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
3904
  fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/13 filter=lfs diff=lfs merge=lfs -text
3905
  fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/19 filter=lfs diff=lfs merge=lfs -text
3906
  fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/2 filter=lfs diff=lfs merge=lfs -text
3907
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/10 filter=lfs diff=lfs merge=lfs -text
3908
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/14 filter=lfs diff=lfs merge=lfs -text
3909
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/1 filter=lfs diff=lfs merge=lfs -text
3910
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/3 filter=lfs diff=lfs merge=lfs -text
3911
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/46 filter=lfs diff=lfs merge=lfs -text
3912
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/18 filter=lfs diff=lfs merge=lfs -text
3913
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/26 filter=lfs diff=lfs merge=lfs -text
3914
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/43 filter=lfs diff=lfs merge=lfs -text
3915
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/27 filter=lfs diff=lfs merge=lfs -text
3916
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/10 filter=lfs diff=lfs merge=lfs -text
3917
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/47 filter=lfs diff=lfs merge=lfs -text
3918
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/24 filter=lfs diff=lfs merge=lfs -text
3919
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/1 filter=lfs diff=lfs merge=lfs -text
3920
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/atom_f8/c/0/0 filter=lfs diff=lfs merge=lfs -text
3921
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/41 filter=lfs diff=lfs merge=lfs -text
3922
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_value/c/0 filter=lfs diff=lfs merge=lfs -text
3923
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/30 filter=lfs diff=lfs merge=lfs -text
3924
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/36 filter=lfs diff=lfs merge=lfs -text
3925
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/35 filter=lfs diff=lfs merge=lfs -text
3926
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/2 filter=lfs diff=lfs merge=lfs -text
3927
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/gbw_eps_a/c/0 filter=lfs diff=lfs merge=lfs -text
3928
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/vec/c/0/0 filter=lfs diff=lfs merge=lfs -text
3929
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_mayer_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text
3930
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/34 filter=lfs diff=lfs merge=lfs -text
3931
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_index/c/0/0 filter=lfs diff=lfs merge=lfs -text
3932
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_mulliken_ovlp_index/c/0/0 filter=lfs diff=lfs merge=lfs -text
3933
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/3 filter=lfs diff=lfs merge=lfs -text
3934
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/eps_b/c/0 filter=lfs diff=lfs merge=lfs -text
3935
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/scalar_f8/c/0/0 filter=lfs diff=lfs merge=lfs -text
3936
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/4 filter=lfs diff=lfs merge=lfs -text
3937
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/18 filter=lfs diff=lfs merge=lfs -text
3938
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/gbw_eps_b/c/0 filter=lfs diff=lfs merge=lfs -text
3939
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_loewdin_bo_value/c/0 filter=lfs diff=lfs merge=lfs -text
3940
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/0 filter=lfs diff=lfs merge=lfs -text
3941
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/1 filter=lfs diff=lfs merge=lfs -text
3942
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/3 filter=lfs diff=lfs merge=lfs -text
3943
+ fullC/p2/omol/electrolytes/md_based/group_003.zarr/atom_shell/c/0/0 filter=lfs diff=lfs merge=lfs -text
3944
+ fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/2 filter=lfs diff=lfs merge=lfs -text
fullC/p2/omol/electrolytes/md_based/group_001.zarr/atom_f8/c/0/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1a4a19d84ad1c4a82e434dc17015435f1e34d92295b85f94e4e7835d5ab5f933
3
+ size 11460339
fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/1 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e0929f928f564aad01003daa2b756ed72d3088fd7f861d2c9ccde25314efccaa
3
+ size 1073742852
fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/10 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:36ced68fed839a2c915f6696561788c7311a105f9079ccc997addd82bbad4016
3
+ size 1073742852
fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/18 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:66453b0ec9f04e230ea1b8714d892fa4c53426bd4d73463df76ab59181e76fdf
3
+ size 1073742852
fullC/p2/omol/electrolytes/md_based/group_001.zarr/cmo_a/c/3 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d0a824616eaf07a9947a508779cdbaaca1cc787752d6d5995a7b718c00e8138c
3
+ size 1073742852
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/1 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:18e7f45cdfaad25044760413d69be93fd898dbfd5886044feeb45cd888097fc8
3
+ size 73320518
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/10 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:986f999c76ec97e13987145a7c39e8604c1dbc7b0f471f4b554753a946ae56f0
3
+ size 72180618
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/14 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6c90fdd670a1d916ae97182b2b04606194af0b97c9b6f9f7860a9b91f65e03ec
3
+ size 57644740
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/18 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:a268c2b13ed9bf3f1a91c0323ae2495a48e3df2b134900a2630a82d36bc54835
3
+ size 69096965
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/2 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d5a90053211352ba65b5184c41bc986e9152f8d058dd21362b19367657a00428
3
+ size 64631303
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/24 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:7b61b9ce069ceb407a3531e41a4c02a065077a66199115f680a5e94714ee8c1e
3
+ size 65263374
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/26 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3dfa6cdbd7671e1f9936aa05d7c43c1fbed0d6f581412029f663b5f39eb9bfb9
3
+ size 72961317
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/27 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:31f5ea52c7c62c1419f734917b9579752bd352d9dcf5e2447b37919057917bc5
3
+ size 71427861
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/3 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2cd145086c8ec4ef7efbd060c3ebc6b57ee0a583a3576e8d5193bbbdda78c655
3
+ size 65077272
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/30 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:f28756206e7c6f37063c78eb06dfd869009ae70e5fef3343b75f73f1bf1ec485
3
+ size 72686150
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/34 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:fa1751040d2630a299fdb0553fa3057184f085b8b7ee16cf8e4858c670ad4d5d
3
+ size 69656932
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/35 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:df1605ba913cb2b8a7c0bfbd3f4f766c4354b7199c68be489b7e1e4f4ed1a8fe
3
+ size 68433440
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/36 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ab6755e049163a323e6465209f27c8671fcbd980ecf50ea8a3f24c7cf077c4ae
3
+ size 67910885
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/41 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:88681bca32b80f0f206ab8660f598117080c7f6a66441b8826ce943274b49dfa
3
+ size 68244566
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/43 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:702b1f11179e7d954ab9b7cc2e34c92bdab1dd421e69d614e547a37ceb4a4530
3
+ size 59286903
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/46 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:952409bf02f10bb0a8041481cb49dfabf1dff4bdfdb2201163d18ca1564cacd7
3
+ size 62014907
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_a/c/47 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:64d0413e98089e87b72e9142eb5c4e79000637dc6262951e7ea16634e234dc73
3
+ size 70936626
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1a64597712cf3c389d0d5fad48d16cc173e0c4e5a59c46cf59be39bc972c5a4f
3
+ size 75369558
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/1 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2f742b85b76c6e973cba3111ac1e183c9b40e8073b20ab331e53a185ef34d449
3
+ size 78898079
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/2 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:9be325fd701321d00bfd7fdddb70f51bcc2337c0e29fad718c5f9750c673442d
3
+ size 80381258
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/3 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:77e04b4d5017b73d4d6443049d9caac31201097b731738360830a486ae42e050
3
+ size 76892162
fullC/p2/omol/electrolytes/md_based/group_001.zarr/fock_b/c/4 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6926c546330bbc8e97cc82a8bf75ab9ff5581105fb7bb858463604f0a409ef1d
3
+ size 68448472
fullC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mayer_bo_index/c/0/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c1836eee5a08fbfafa9a944e9fcf9abe03c5676f1629a5b8a0fdc3d656345773
3
+ size 211714
fullC/p2/omol/electrolytes/md_based/group_001.zarr/pair_mulliken_ovlp_value/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4818254cc08d141d969b5dd3b191ef5539f879376128399300484c524192d86a
3
+ size 1779589
fullC/p2/omol/electrolytes/md_based/group_003.zarr/atom_shell/c/0/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:997121485789a58b93e43689a8d540be8a5cb20cefd3fdaaf1952d9840fe4df8
3
+ size 1479718
fullC/p2/omol/electrolytes/md_based/group_003.zarr/eps_b/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1f8251a9be41e3520f58f52ffaf862d5d8df1a4b95bb56c9c670faf846f81d08
3
+ size 907047
fullC/p2/omol/electrolytes/md_based/group_003.zarr/gbw_eps_a/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c1fc6fc27e17ae72aa094f0d12560c67681f1c6497725ad7bcef6822e326c810
3
+ size 7288734
fullC/p2/omol/electrolytes/md_based/group_003.zarr/gbw_eps_b/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:036381be2c1ade83e1a9ec59e4b3dfc0930c90289edb30a0fe30cc48b787eddf
3
+ size 907047
fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_loewdin_bo_value/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:9b7829b6bc347221e266ca8788f02fb717a7668764661fdc5679425dfa738a28
3
+ size 493597
fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_mayer_bo_value/c/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:cb0bee917612e8d21d611d0fcc2ccaa1bb24c6e997038809c10e856f90e96611
3
+ size 268391
fullC/p2/omol/electrolytes/md_based/group_003.zarr/pair_mulliken_ovlp_index/c/0/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4483f8fb03f2f1c4f80269011aaf58b5d1d2291308b94167f2b6a6af5c32cc36
3
+ size 332791
fullC/p2/omol/electrolytes/md_based/group_003.zarr/scalar_f8/c/0/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:15029efe4aa4f47983e07d15017c9418e353dea5f1a74d2aa797aa92ac1e8ea8
3
+ size 136604
fullC/p2/omol/electrolytes/md_based/group_003.zarr/vec/c/0/0 ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d02d3bbf0cf7336ededadb78f69f7b03508ce71670b847a71fbf2b247c10da1d
3
+ size 155179
occC/p1/ani2x/group_000.zarr/atom_f8/zarr.json ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 83603,
4
+ 21
5
+ ],
6
+ "data_type": "float64",
7
+ "chunk_grid": {
8
+ "name": "regular",
9
+ "configuration": {
10
+ "chunk_shape": [
11
+ 84504,
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
+ 6036,
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/p1/ani2x/group_000.zarr/atom_offsets/c/0 ADDED
Binary file (10.1 kB). View file
 
occC/p1/ani2x/group_000.zarr/atom_offsets/zarr.json ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 5481
4
+ ],
5
+ "data_type": "int64",
6
+ "chunk_grid": {
7
+ "name": "regular",
8
+ "configuration": {
9
+ "chunk_shape": [
10
+ 5481
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
+ 5481
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/p1/ani2x/group_000.zarr/atom_shell/zarr.json ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 83603,
4
+ 25
5
+ ],
6
+ "data_type": "float32",
7
+ "chunk_grid": {
8
+ "name": "regular",
9
+ "configuration": {
10
+ "chunk_shape": [
11
+ 84504,
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
+ 6036,
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/p1/ani2x/group_000.zarr/atom_z/c/0 ADDED
Binary file (15.4 kB). View file
 
occC/p1/ani2x/group_000.zarr/atom_z/zarr.json ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 83603
4
+ ],
5
+ "data_type": "int16",
6
+ "chunk_grid": {
7
+ "name": "regular",
8
+ "configuration": {
9
+ "chunk_shape": [
10
+ 84504
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
+ 6036
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/p1/ani2x/group_000.zarr/flags/c/0/0 ADDED
Binary file (891 Bytes). View file
 
occC/p1/ani2x/group_000.zarr/flags/zarr.json ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 5480,
4
+ 6
5
+ ],
6
+ "data_type": "int8",
7
+ "chunk_grid": {
8
+ "name": "regular",
9
+ "configuration": {
10
+ "chunk_shape": [
11
+ 5600,
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
+ 400,
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
+ }
occC/p1/ani2x/group_000.zarr/pair_loewdin_bo_index/zarr.json ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 242334,
4
+ 2
5
+ ],
6
+ "data_type": "int32",
7
+ "chunk_grid": {
8
+ "name": "regular",
9
+ "configuration": {
10
+ "chunk_shape": [
11
+ 246064,
12
+ 2
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
+ 17576,
29
+ 2
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/p1/ani2x/group_000.zarr/pair_loewdin_bo_offsets/c/0 ADDED
Binary file (6.95 kB). View file
 
occC/p1/ani2x/group_000.zarr/pair_loewdin_bo_offsets/zarr.json ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "shape": [
3
+ 5481
4
+ ],
5
+ "data_type": "int64",
6
+ "chunk_grid": {
7
+ "name": "regular",
8
+ "configuration": {
9
+ "chunk_shape": [
10
+ 5481
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
+ 5481
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
+ }