| Path |
Digest |
Size |
| materia/.gitignore |
sha256=9YWkfr8LG1w9hhtIx5RK2OIs0l5aNTe4mDNm17e77U0
|
113 |
| materia/__init__.py |
sha256=hqZ8nRVsJgZLktVVc9VkdB1fYIvPWke685A7FWK3Xeg
|
300 |
| materia/actions/__init__.py |
sha256=B4Ot0pyOozTvs5x6L-lgvL0EJREAOGw3uqufiawndxM
|
63 |
| materia/actions/action.py |
sha256=zS-nWRZ1V0BOKT0X0oEjrLc-Y6ZQvOkIzh0JQzc4ER4
|
469 |
| materia/actions/core.py |
sha256=kbi2MtNZUhQoxLAa8SdyRK-7XCEesdRcDQQK0ogxZb8
|
1752 |
| materia/actions/qchem.py |
sha256=LRCh9iotrDX546U9AJaD0l6flfLS1n2-7Nf6doWOskQ
|
1389 |
| materia/dataseries/__init__.py |
sha256=4FKrNnqsoW22jEm8rTvhvY0QOK0Wkk-q4n-1c67YH7A
|
46 |
| materia/dataseries/data.py |
sha256=KUOnVqkscBjFRXV11bONE_oMmgdLrdsXXUlfhdYp5v0
|
91894 |
| materia/dataseries/dataseries.py |
sha256=PDCzg5yERuJisMRllxWm5nP4mA2MvsFI-Ebbkp-9-ew
|
20089 |
| materia/engines/__init__.py |
sha256=o36eBuWEudM9g9jj6dxXCDn5GOwbhYEc0iplcL0J5RU
|
238 |
| materia/engines/ccdc.py |
sha256=X27l2RVNJILYPtOonhN9Z0ZP5I7LWrCYIGe3cG0Ni00
|
4149 |
| materia/engines/engine.py |
sha256=Kfj4FQ9LuGBcV8XPCA4z_6uBdYAtxUOC0e-l0JU3_Nw
|
1682 |
| materia/engines/fragit.py |
sha256=MiZ5AWVJVzsmqPiGmU4GWwjHeW42OqSdEqYiJZ4EmfE
|
2183 |
| materia/engines/gamess.py |
sha256=UDTpiGU-u0KMdfXHLydWiFsBtW1s3eRuAVz2pEevSC8
|
6095 |
| materia/engines/gpaw.py |
sha256=Fn9dUewKQqv2AF66gGmxNQbD62mK8MPvLkeGhjAgphY
|
1014 |
| materia/engines/multiwfn.py |
sha256=P4-UdCk1-muCEGuh7RHBzrf5XDJMM6UDq2DHo0KsBJw
|
8469 |
| materia/engines/openbabel.py |
sha256=u49c5gFVBj2XquDMTCKVSusirIqyWmQ6_qwr_5a8z6g
|
6066 |
| materia/engines/packmol.py |
sha256=p44QrBL0Q_HEJyOU3NZGCi4FtdgUmenwyLap_SOJjVo
|
4266 |
| materia/engines/qchem.py |
sha256=xhyC2j0Nd61cfFTcF0qlEVD6WuxKgiSYEdWf_C6F36s
|
41390 |
| materia/engines/vasp.py |
sha256=5PuZzt6074O9Fp-auAUDqTkB5DMBERDXmmls-fB5cTs
|
5634 |
| materia/engines/xtb.py |
sha256=6SG-lT0RiFiTSO3TnjVpcqagLWetF6TvzHotoiFEBdo
|
2661 |
| materia/handler.py |
sha256=FyW45hJUK7WDy_ZdRcKJRbxOMDEaKeFmHQ9-ljdaohk
|
2619 |
| materia/math.py |
sha256=KRGWjfuFTl0r7cN1ixIRL-l347waWiy6vA95OlKX3Ig
|
13280 |
| materia/molecule/__init__.py |
sha256=-Z_JE2eW-zUov-tnKMBOist6EmItF-BlGJN6WPb_DFY
|
69 |
| materia/molecule/atom.py |
sha256=UwJWeOzO3AdvGedg-EwpXNQPzahjRN_AFq_DqnVbWNs
|
4969 |
| materia/molecule/molecule.py |
sha256=bU65auDBXtk-893ZuOv-Th_oBXTNSb6blV6ZVR4IuPU
|
3223 |
| materia/molecule/structure.py |
sha256=nU5t0CKVUD-ygpqpeQTX6DqjXEeFI9sfOaKKvb3Nj50
|
17742 |
| materia/properties.py |
sha256=5vKoHJV5mpjubwzdUTvf9C2YAHva5g3aqqLYSIqB1w8
|
7513 |
| materia/quantity.py |
sha256=ZkTObyYZ4Itbz2ueGbN3em5a1zYprlcnrb8hU-PQcfw
|
12027 |
| materia/symmetry/__init__.py |
sha256=0261_U8VVPO_zDK2jIKkOymCNrn5u4B6fnrwv7IbI24
|
87 |
| materia/symmetry/group_theory.py |
sha256=utyLG9pnDAUkjNc6XFxu0h6_Dbf43g7AZl7MsjJ0l2w
|
10047 |
| materia/symmetry/symfinder.py |
sha256=WsrAh58D70XmAP9b8br1c_Otmnb5TwtISWAvI_T5RTU
|
38332 |
| materia/symmetry/symmetry_operation.py |
sha256=9oVmz4DImJ9rd0Gpi53u8Cs6gVrRZf0D1YPuYya8Aew
|
4687 |
| materia/tasks.py |
sha256=heZ0nZnSMNon5jKaq2A7znEk3mM-hce4E2Oxx-kBNX8
|
6218 |
| materia/units.py |
sha256=oCLBMq2Bjnp3LX5zrWZjYrQ92Mm--n0fvKRYsN9ni8w
|
4351 |
| materia/utils.py |
sha256=LgFIFrzxVNL0vmbn1AYao7AqZcdN3B007fwgknA6VMU
|
21197 |
| materia/workflow.py |
sha256=QyoSN0Gk1_Ue_YH88sC7WS5pVZND83jNsll41RAEnPM
|
2368 |
| materia-10.0.0.dist-info/LICENSE |
sha256=DOqx_z_gpW1J9vGIrIL0cS5fx2shVJ9vu6koUCTIRq8
|
1071 |
| materia-10.0.0.dist-info/WHEEL |
sha256=V7iVckP-GYreevsTDnv1eAinQt_aArwnAxmnP0gygBY
|
83 |
| materia-10.0.0.dist-info/METADATA |
sha256=gMlFybxNWHp1az28B1wZ1L_ZEGcV3CB9MruGTSyMwWI
|
1594 |
| materia-10.0.0.dist-info/RECORD |
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