emmet-builders 0.84.10rc1__py3-none-any.whl → 0.85.0rc0__py3-none-any.whl

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Files changed (35) hide show
  1. emmet/builders/abinit/phonon.py +12 -14
  2. emmet/builders/abinit/sound_velocity.py +1 -1
  3. emmet/builders/materials/absorption_spectrum.py +16 -10
  4. emmet/builders/materials/dielectric.py +10 -7
  5. emmet/builders/materials/elasticity.py +13 -9
  6. emmet/builders/materials/electrodes.py +1 -1
  7. emmet/builders/materials/electronic_structure.py +1 -1
  8. emmet/builders/materials/magnetism.py +2 -1
  9. emmet/builders/materials/piezoelectric.py +23 -19
  10. emmet/builders/materials/provenance.py +3 -4
  11. emmet/builders/materials/substrates.py +2 -2
  12. emmet/builders/materials/summary.py +2 -2
  13. emmet/builders/settings.py +14 -9
  14. emmet/builders/utils.py +5 -4
  15. emmet/builders/vasp/materials.py +11 -4
  16. emmet/builders/vasp/task_validator.py +3 -1
  17. {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.85.0rc0.dist-info}/METADATA +7 -30
  18. emmet_builders-0.85.0rc0.dist-info/RECORD +41 -0
  19. emmet/builders/materials/ml.py +0 -101
  20. emmet/builders/molecules/atomic.py +0 -592
  21. emmet/builders/molecules/bonds.py +0 -329
  22. emmet/builders/molecules/electric.py +0 -287
  23. emmet/builders/molecules/metal_binding.py +0 -528
  24. emmet/builders/molecules/orbitals.py +0 -292
  25. emmet/builders/molecules/redox.py +0 -502
  26. emmet/builders/molecules/summary.py +0 -406
  27. emmet/builders/molecules/thermo.py +0 -505
  28. emmet/builders/molecules/trajectory.py +0 -530
  29. emmet/builders/molecules/vibration.py +0 -282
  30. emmet/builders/qchem/__init__.py +0 -0
  31. emmet/builders/qchem/molecules.py +0 -745
  32. emmet_builders-0.84.10rc1.dist-info/RECORD +0 -54
  33. /emmet/builders/{molecules/__init__.py → py.typed} +0 -0
  34. {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.85.0rc0.dist-info}/WHEEL +0 -0
  35. {emmet_builders-0.84.10rc1.dist-info → emmet_builders-0.85.0rc0.dist-info}/top_level.txt +0 -0
emmet_builders-0.84.10rc1.dist-info/RECORD DELETED
@@ -1,54 +0,0 @@
1
- emmet/builders/__init__.py,sha256=y-ZREtieuFK3MaYvCBDMPf3YLxnsZG1VNho9lMjnRDU,221
2
- emmet/builders/settings.py,sha256=BcVjKgBUyJ0ntAbqaq_t7tAL3ocNS4Vyms_lesQ0cb4,2880
3
- emmet/builders/utils.py,sha256=TVIsXXDe3Eqn6geSzQlcTDEaR8zy41Fr436uDWHrxPU,10945
4
- emmet/builders/abinit/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
5
- emmet/builders/abinit/phonon.py,sha256=WMcYz92rdvjNhI3_1ICIItOFz1uvBQcUxFIsdMcS3yM,32079
6
- emmet/builders/abinit/sound_velocity.py,sha256=Cr18IdkdVA7tJFPI71YUD7eXtstT6UyEuOPDFzj1Rj8,7065
7
- emmet/builders/feff/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
8
- emmet/builders/feff/xas.py,sha256=wQnO0IcxAclYY4fVoyc4sDqs1Cx7vFzMq-_oIHnk3EU,2068
9
- emmet/builders/materials/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
10
- emmet/builders/materials/absorption_spectrum.py,sha256=j5bzsuQGYX0udGoFgQhtx1zERJjscK-k0gFJu-5QtRk,6742
11
- emmet/builders/materials/alloys.py,sha256=ZAGvwWiPImOvmoHHn3tmSEx07r9gEwU3K249h_YeqAw,14194
12
- emmet/builders/materials/basic_descriptors.py,sha256=IVCkN0vjkoNis2d_OUezVhPzGpaVcP6IkX123UwB6oQ,5845
13
- emmet/builders/materials/bonds.py,sha256=TFfkfKG1-7zcim9gPJqRz1UcyVN_px0889VWhSICc5g,1847
14
- emmet/builders/materials/chemenv.py,sha256=ZTR6_VyAif3yvcSy8xagBkmKczZsDD3LC77RMKi4E0U,1191
15
- emmet/builders/materials/corrected_entries.py,sha256=LjetapbRAU1VZteC5E9FLkvp-YprVNiWeNBAtX_qbKA,12475
16
- emmet/builders/materials/dielectric.py,sha256=1hxNm_9mAuNauKEnd5p99lByQ6pWqg5mEWBUACKJpeQ,6610
17
- emmet/builders/materials/elasticity.py,sha256=Kk2R0-CPjoTdN67nWVoGZKmZ7gs8kNJf7I8KwFupbiw,16330
18
- emmet/builders/materials/electrodes.py,sha256=aBHwIuN1r-YQx2ooAwHlqInFNpZoUamyn1bvmxZPaWM,23829
19
- emmet/builders/materials/electronic_structure.py,sha256=S_LRIg5N9mrP81Xu_KM9YOage_DpbDfPuT12LV1CGT0,29431
20
- emmet/builders/materials/magnetism.py,sha256=WYFrlcYpOOzeGeFlwAIf3y-DfLFCfkyYeao7pjFYDP8,4688
21
- emmet/builders/materials/ml.py,sha256=OD_ImpSI4eY2F4sf3zId3pIISRmGDxOXXx8UdP7iUEs,3494
22
- emmet/builders/materials/optimade.py,sha256=TYzw-xLaNeNa2h0Fa5Ft3Iqg0LMEHj1_-MbfMmfDdpk,5211
23
- emmet/builders/materials/oxidation_states.py,sha256=ptTfakXk1bjexniBzx87XCutiuRiolFpnMZETsJlj6I,1670
24
- emmet/builders/materials/piezoelectric.py,sha256=oHWr4fcpSgCCh_dqgpKSWJqnhb-lxvgx0Tz2tzrTQvw,7689
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- emmet/builders/materials/provenance.py,sha256=kkCQnMFBynP2k0I_BQ6Z29LcjXAMnUavMjfc6unnm48,9093
26
- emmet/builders/materials/robocrys.py,sha256=6nVAgqsk2T9VdibCR2eZeVosqwJ2lEt_Yr_4hzotEIA,1257
27
- emmet/builders/materials/similarity.py,sha256=SIqdmPgs3f7oUQCeu0IBh26y_evYWc0EOEvbIALl-0s,5414
28
- emmet/builders/materials/substrates.py,sha256=mNHulQjYY_b1B1DePckI9yiLH4_Y3EkQQNMFXGLUJpU,6126
29
- emmet/builders/materials/summary.py,sha256=gQ4iVeu5FHbXsaCx4Wh81wx8uIJ4brzZYzD7ngUlQhk,8019
30
- emmet/builders/materials/thermo.py,sha256=oOH-8IEyUxNckXniFCe_-En2rTG2bNybudqdrf9ztL4,10988
31
- emmet/builders/matscholar/missing_compositions.py,sha256=6prFb3mmvr_y12XIzZ8w8SiHLEone1B6Hxyq6cTusSE,8704
32
- emmet/builders/mobility/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
33
- emmet/builders/mobility/migration_graph.py,sha256=BxVh3homd9GEniB33_dJ1e2wmRvMnievHHPRs6fnbBw,3899
34
- emmet/builders/molecules/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
35
- emmet/builders/molecules/atomic.py,sha256=WWKOHZaWR7jVtdzYtTRsp1bJLcZtmZZ2t5STGPuOwoI,20900
36
- emmet/builders/molecules/bonds.py,sha256=fppsbn2BZKt5OvQL8OdFrQ5NobKc1AxKyHshhu2VzrU,12173
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- emmet/builders/molecules/electric.py,sha256=tc-LM0kVpqzSJssbI_OElFFQt-GxLtp3F9sEAvSsAOg,10138
38
- emmet/builders/molecules/metal_binding.py,sha256=ZPtrv29zYHTlquN6cAtgiPC69dMbFouxkqYEs4vEMEs,23376
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- emmet/builders/molecules/orbitals.py,sha256=lWH19IWVH_tazV9TKhTXzWfC9Cf85MiBFybmADTdb9s,10132
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- emmet/builders/molecules/redox.py,sha256=IkDrmrKzEafQeO_h_-p22-MQ74loEYIS2ukG8rOBluI,18530
41
- emmet/builders/molecules/summary.py,sha256=p2lQfXOhS3cfH5DXrg5Wdu2RiG2MP38erbqDAHIVZMg,13945
42
- emmet/builders/molecules/thermo.py,sha256=DZBYksGP_UA8q3sT-LhkZuYz5-a16TuBuFNkMRLK6Pg,19947
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- emmet/builders/molecules/trajectory.py,sha256=ewLk5DPWAMNvkmUplj3vzm04bAs3GWWCxsK_oIE007U,18230
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- emmet/builders/molecules/vibration.py,sha256=utAUlwo8Ps4ZOnAo5EbB7_SQLp8_CS0ceX4ldtRUA4U,9592
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- emmet/builders/qchem/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
46
- emmet/builders/qchem/molecules.py,sha256=8_pqFJ2YXzW0Mu51jxmCWoA_825qksvFbBZJVwqtVVI,26437
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- emmet/builders/vasp/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
48
- emmet/builders/vasp/materials.py,sha256=CEW7kRhaBvFhLW_UB4reTGDXSnrMTCGj2WeLDj5qnV0,12987
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- emmet/builders/vasp/mp_potcar_stats.json.gz,sha256=x3bn4gSMj1U_3bR2qKIaBtbJlYT-EJgoUIMFTA9bvaU,338957
50
- emmet/builders/vasp/task_validator.py,sha256=Fmi6TvjE8pWkRRtb8z-D7bh14MH_PaLazesinJV6mK4,2923
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- emmet_builders-0.84.10rc1.dist-info/METADATA,sha256=5HnbML-H80xkGBckeV_skgrQnDEamuOe5q-qQbO8Hh0,2407
52
- emmet_builders-0.84.10rc1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
53
- emmet_builders-0.84.10rc1.dist-info/top_level.txt,sha256=6GcpbmWPeFhNCTfDFilb8GQ4T1UQu4z9c5jpobjwE-Q,6
54
- emmet_builders-0.84.10rc1.dist-info/RECORD,,
/emmet/builders/{molecules/__init__.py → py.typed} RENAMED
File without changes