Path |
Digest |
Size |
atomman/VERSION |
sha256=JsyEkc7HMu0K40RogOQDT5G5Cuhp-OclBOkxx7ICjlk
|
6 |
atomman/__init__.py |
sha256=O1_YXEEVlEel3gdtsUg_A1GdC3gss-ya4NaA1XkgZDY
|
1396 |
atomman/unitconvert.py |
sha256=aJiL3H6K-O8passhjRp4Crzf3coD5jCFhDzw5inQgXE
|
12639 |
atomman/cluster/BondAngleMap.py |
sha256=X_HsosnESnLzYqlhfQ5rnph8AVEIsu-42-N2ATagtpk
|
31257 |
atomman/cluster/__init__.py |
sha256=2eeHGKO_Ts2DfpH5sxoG85CjCW848rOqXvPZwdlV8hA
|
68 |
atomman/core/Atoms.py |
sha256=u9hx6O8_U1iYek_1SDbkiKmYekcYE2vpplVykUElciw
|
22112 |
atomman/core/Box.py |
sha256=Dn5i623P9vH7KLmLvbVUhw7POCoUhl9JDwm1sQ2DJIw
|
37743 |
atomman/core/ElasticConstants.py |
sha256=OjwGCvGfV5tYrgLMUNolpGEtaB8e2ZVHJx73ODgrXi8
|
40489 |
atomman/core/ElasticConstants2.py |
sha256=apaI-PIDRT8cpSxpRDNPuNA5iVMGrzJy07PTwZzSsqM
|
40845 |
atomman/core/NeighborList.py |
sha256=6qBDXTm_uSYxUqg8TdMsA_4d33a-vUcHjdv4cp0nJF0
|
5459 |
atomman/core/System.py |
sha256=6Wzqmww49GkbMdbbMHhE9fNzoa9cMIQJpQbgUk9kiEw
|
48986 |
atomman/core/__init__.py |
sha256=FeeclCKVZpubOL05wguO5-vf3hLssQQFQ_HgaHNATgs
|
427 |
atomman/core/displacement.py |
sha256=iobxD67fp4uP-0P2hsQJNLc9gcyBsVZnWVc7sAt40K0
|
1650 |
atomman/core/dmag.c |
sha256=rDVwjeusEIxau7ZN3vTzOEltkV0USa_gJDHW9gEKl58
|
1051842 |
atomman/core/dmag.cp39-win_amd64.pyd |
sha256=UBdSb0WUi_9qmiIORg6MxlrzY4uaOfzkC3j7pi9FzsA
|
152064 |
atomman/core/dmag.pxd |
sha256=lBU1DxjRFgbWyPksLyrDCIwbLS-6w7Sdg2GRKN-bauI
|
150 |
atomman/core/dmag.pyx |
sha256=7dnhXhIXajVPn9BET1HEq687JLAoevv4AFJTcc82cFk
|
4798 |
atomman/core/dvect.c |
sha256=J_s21YlBKkOZctIQXDwvchrmqpxhC_zSHe73KLQk1-4
|
1054130 |
atomman/core/dvect.cp39-win_amd64.pyd |
sha256=WlUJ2JxD1igx13N5mVpW3g6Jt9FqB6AYFwNF2kOB-xE
|
151552 |
atomman/core/dvect.pxd |
sha256=EK00ZN6NzwMxRFL1zO3UMyUdVBcbQg0RDs1beg1JaL8
|
150 |
atomman/core/dvect.pyx |
sha256=axHo8COIaW9cplvw04tV9PoH466oxNFdzwPTbSaWN-I
|
4939 |
atomman/core/nlist.c |
sha256=TlCfiu3UxHF40BRZXbToug_oQU6DL2gBD0hWUnbHvlo
|
1267241 |
atomman/core/nlist.cp39-win_amd64.pyd |
sha256=rYpPCzjMjD_-8FS9uHKWTBb_l5k2yQvSKUWR95CBEgg
|
196096 |
atomman/core/nlist.pyx |
sha256=DTP2a7OSbfKGGit-xq-cxOsD-KMmv4pbuV2odOY3nUc
|
13108 |
atomman/defect/Boundary.py |
sha256=1cjODsG0ek4KZ6oinJ4IbEOo2qqJODDr7BnNZ8hdkxM
|
32973 |
atomman/defect/DifferentialDisplacement.py |
sha256=atAADWFB7lw-5XAFgCQ4pu95g5xFGOfwXDA8Pwg5OmA
|
35597 |
atomman/defect/FreeSurface.py |
sha256=y0bbK_XRafybfjPFP0Jtt0msXFKdpBuY44ypHpLCiQA
|
27771 |
atomman/defect/GammaSurface.py |
sha256=aXaWlux518tCCXEP9-yI0wjdvvO4x34FP6AHgdZe_DI
|
55874 |
atomman/defect/GrainBoundary.py |
sha256=LGkeFHfwzDdQj-eCtdijO-khwI0lY54kz4MOIRrZbFM
|
8096 |
atomman/defect/IsotropicVolterraDislocation.py |
sha256=iU8iCINfM7jxMEFcWFm7U1HdU2xmGbrZm0g1CEY3LcA
|
11293 |
atomman/defect/SDVPN.py |
sha256=wp4wtUlgKptO4Junb31NFt2jGSjPRByzxuIJC_CV7U8
|
49666 |
atomman/defect/StackingFault.py |
sha256=BzG_RJnwZz04JzjNd1iddp6jN-SgIeeeiwN7q4rBOz0
|
30702 |
atomman/defect/Strain.c |
sha256=BaNvtw6cupDxT3gQ8HxOSm8c1DxC6VUAUve-T-Xkhm0
|
1511473 |
atomman/defect/Strain.cp310-win_amd64.pyd |
sha256=N-v1lErO9D3WlZfsZZ7w63_sB4_RsSetNHtmWUXftI0
|
245760 |
atomman/defect/Strain.cp311-win_amd64.pyd |
sha256=5hB2yPoLQwQaY-9HSN2Uw94I8tvt3Z5bkyZuUPPX-P0
|
246784 |
atomman/defect/Strain.cp37-win_amd64.pyd |
sha256=mxsABcd2bCWAp1okfN3qD7kPGDIR0EPFCyZzWNw6KiM
|
217088 |
atomman/defect/Strain.cp38-win_amd64.pyd |
sha256=p1GqCNNhgrB6cHuQFen1MXhDvwpL2id6L3xgXsrmNO8
|
246784 |
atomman/defect/Strain.cp39-win_amd64.pyd |
sha256=vEYMCKHtaiPWfVezg2GpQRS8nhHmywCZgKQKlFbq3Ec
|
246784 |
atomman/defect/Strain.pyx |
sha256=_fOSgh0pcn44bo8H-ewofYEKMxSiBl6uQzqEjB4FqP0
|
23229 |
atomman/defect/Stroh.py |
sha256=MtEOohUDzKfW2THNzMe0gJzu3IOCQqR9Cdnd9ilOvSY
|
12083 |
atomman/defect/TiltGrainBoundaryHelper.py |
sha256=TiiEJmW6NsMndvn1PR_-AZ4I-CDSznNkcYZPxRXCFg8
|
20674 |
atomman/defect/VolterraDislocation.py |
sha256=0ojdMojpcFEvi42IsvlkTtElHy5Fe2IsLgPig1ohX_E
|
15484 |
atomman/defect/__init__.py |
sha256=KHZWxj3YyxEzvvLa-FrLM9UZSMhpbn31YwS6mcc5Dxw
|
1835 |
atomman/defect/differential_displacement.py |
sha256=UzkTEekotJbTLCMDoIhaR1OnOrbWk4pIqP2MjJ-mHOc
|
15133 |
atomman/defect/dislocation_array.py |
sha256=3uLmPe4am_WYWN8DDF-YW72HvysAprQShU-js6_Xl5g
|
10116 |
atomman/defect/dislocation_dipole_displacement.py |
sha256=MagVe9CJFBX8pWHRRwP-q2rFdHRqzXnYPqlec_sJ3n0
|
5531 |
atomman/defect/dislocation_system_basis.py |
sha256=I3TohayfTPKEQYzKoOIMxw_Ov_oEVK7aFAK2SKVRd5c
|
8690 |
atomman/defect/dislocation_system_transform.py |
sha256=xT6QYxs4S6UkQNH_El9XNaObHRK6mL_QXhSDweCBlh8
|
3146 |
atomman/defect/disregistry.py |
sha256=wZ0j7KmipJKfaLAh3Z-cLO3RV5ZFCN5fIuZEnWsE8K4
|
4612 |
atomman/defect/free_surface_basis.py |
sha256=J5kxj73OHu1ZdLCB3HsROOdfSq1Pz1LvoYGJ0DY0Xto
|
10961 |
atomman/defect/generator_tools.py |
sha256=cCAaskiODHm193NF9g6WEvr84MdYJTd_5xJJD5en0xY
|
6501 |
atomman/defect/nye_tensor.py |
sha256=vLFbHOTuXkgkqo0wJx_pHjLW6ob7FSq2jN9h906Ve7E
|
7070 |
atomman/defect/nye_tensor_p.py |
sha256=GmuMV1KB-OkxStS6UtjfaoyDwfJj88hxUUNlWWDLRsU
|
1937 |
atomman/defect/pn_arctan_disldensity.py |
sha256=lkLRzg3bckVZhnvdl1g1IvGIDjD7NpWHdApBxdjWQC8
|
4457 |
atomman/defect/pn_arctan_disregistry.py |
sha256=_R8xBF7Ioq9-eaWeB-no_DByky47ilNOTc_aCWLHtPo
|
4280 |
atomman/defect/point.py |
sha256=jmU_5aRaUpnrHEIwbl58jTkz0wYGo_a9CyPpBkJ8RqM
|
16811 |
atomman/defect/slip_vector.c |
sha256=aqwJSjsd26nf6FpMrDZglKqkTkr5_0xCp-soSpDK4b8
|
1049539 |
atomman/defect/slip_vector.cp310-win_amd64.pyd |
sha256=FYA20_6UJrUZhcaUQIi8zPN1q_Q_svrN8mK8ciplC-I
|
154112 |
atomman/defect/slip_vector.cp311-win_amd64.pyd |
sha256=BjnlFwzHyRIknI4Hbg6tSo7ylGfF7q_fnGsYqHo_lA4
|
155648 |
atomman/defect/slip_vector.cp37-win_amd64.pyd |
sha256=jUYTbJV5EzmoGdZOsa1YaAGaL3ZIxbcMRAdQN-XiaB0
|
134656 |
atomman/defect/slip_vector.cp38-win_amd64.pyd |
sha256=m2LD2dvtQUGB1Lb9pJI46IpSUmlC1I3XTvREkVCScEg
|
155136 |
atomman/defect/slip_vector.cp39-win_amd64.pyd |
sha256=c_J3zkFF6RA7oZK6DPRFUXzNjmBpCwQn3I1tSXT7XX0
|
155136 |
atomman/defect/slip_vector.pyx |
sha256=8rQ6PC9xg7ugKvyyFyto3Vn0bWKyU9_lRgyUzLddlvs
|
3708 |
atomman/defect/solve_volterra_dislocation.py |
sha256=g6TUEAn1tPsPRv7ACTd9c1Ec5XvcS04H8-zAwMaNKo8
|
4377 |
atomman/defect/Dislocation/__init__.py |
sha256=Ls4MMUJ5_iNBOKXNM6fmnv0hdMXZovI0ZwGAI-u4UGY
|
23268 |
atomman/defect/Dislocation/_dipole.py |
sha256=Y4YN76uEngdj9D0JeWWxvHadl2d1Hjw8ZSuUsJT-iCc
|
13086 |
atomman/defect/Dislocation/_monopole.py |
sha256=bNI41l7fV9hxXIjXuEIVhtSOyJgnyAMq-DnEpS7Veww
|
14029 |
atomman/defect/Dislocation/_periodicarray.py |
sha256=rcYUhgLwS4WxLevYKTKfjr3hFkMmu3B_QXujKmcphqs
|
19678 |
atomman/dump/__init__.py |
sha256=yCycVUkw9a5hTJ054HqCrvCIPLn_kswy6sGXLH_kA6c
|
1786 |
atomman/dump/ase_Atoms/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/ase_Atoms/dump.py |
sha256=q0p4-Dl-t2wRdNZ9bbutVzMe3Hy1u1TjCw3MlecppoQ
|
1987 |
atomman/dump/atom_data/__init__.py |
sha256=u5qPdlEw68WqkVjFDDG7H6SIeTzxDsBenullyzAIrms
|
141 |
atomman/dump/atom_data/atoms_prop_info.py |
sha256=-WjEHlAkaA2iZgtXQUdHhFrVK1lcg9PwBOuiDGLjDbI
|
14738 |
atomman/dump/atom_data/dump.py |
sha256=Q8XgysEU4zvcsBDW4e2so2gNrIrxan6G1aObkyNesb4
|
9290 |
atomman/dump/atom_data/velocities_prop_info.py |
sha256=LcE6GiIORcUDuPlBU8RCCxyBL4uapinq0HEPgsdDetQ
|
3289 |
atomman/dump/atom_dump/__init__.py |
sha256=FV3EslQRgyCPN9p7UmDMF6_WQv7GwDdrVWVrq92xr40
|
89 |
atomman/dump/atom_dump/dump.py |
sha256=pEddDrSchjkQ86ynIaX1aunV9qW40q8K2pGUQzh2x4o
|
11174 |
atomman/dump/atom_dump/process_prop_info.py |
sha256=vlfLFlMcAX3CTbjmyyaYh9WCd0zap80PUqchr8sQDwo
|
9697 |
atomman/dump/conventional_to_primitive/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/conventional_to_primitive/dump.py |
sha256=MDpIp4wqgK3wx0K0dyjPpQaAMDfBovvr9cTO3_L3yIU
|
13018 |
atomman/dump/lammps_commands/__init__.py |
sha256=nQpthJupzYsEdkKKkhC1cSLWyOz_R2799fr97EBVn-4
|
22 |
atomman/dump/lammps_commands/dump.py |
sha256=DP4i776bF-dnixKuG0m-7P5fuBBWioGnI31nL3thQi0
|
8107 |
atomman/dump/neb_replica/__init__.py |
sha256=nQpthJupzYsEdkKKkhC1cSLWyOz_R2799fr97EBVn-4
|
22 |
atomman/dump/neb_replica/dump.py |
sha256=ktCIDEYldJOmDv7nJmuUWF7KFs4giOKh5bSbwP64hCc
|
2915 |
atomman/dump/pdb/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/pdb/dump.py |
sha256=_llXOTVPF-4j8_N3VcqXPkHkMxv9gI9W0t6791nZDfU
|
2701 |
atomman/dump/phonopy_Atoms/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/phonopy_Atoms/dump.py |
sha256=gqU60gz_hS0lgMtCc3au2CT3HrA7BfpjAVl0GU18xMg
|
2175 |
atomman/dump/poscar/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/poscar/dump.py |
sha256=w9nDBIXsUzu6JFXhUgYEoyzl-SQoPyHE88sDp3GpVT8
|
3807 |
atomman/dump/primitive_cell/__init__.py |
sha256=nQpthJupzYsEdkKKkhC1cSLWyOz_R2799fr97EBVn-4
|
22 |
atomman/dump/primitive_cell/dump.py |
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|
1692 |
atomman/dump/primitive_to_conventional/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/primitive_to_conventional/dump.py |
sha256=XujSYQJB6U9dgEua56jywyFNFBEtsCz_fRIKWIRo6-U
|
2308 |
atomman/dump/pymatgen_Structure/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/pymatgen_Structure/dump.py |
sha256=bF4PyGJA8NH3y3WrSPxyHhZQuWaYdqsppT1kEiPYnUo
|
1705 |
atomman/dump/spglib_cell/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/spglib_cell/dump.py |
sha256=DQCyX9opfGzz1SVTjMGCUdjSWB5BXeHw9W_1Yys0lyo
|
683 |
atomman/dump/system_model/__init__.py |
sha256=ThcM3N2doG46wKoz9R_BqzC-Jyoma_HHe-SkGtwCROo
|
39 |
atomman/dump/system_model/dump.py |
sha256=afyc0sMz_Eq0G-E4oKiHBvczauS0GebuDXsTkHVj-xc
|
3836 |
atomman/dump/table/__init__.py |
sha256=Vp6Ja2wtEDfpIUUQ7YDFxZI7TMUilXXxkb445-TK28g
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89 |
atomman/dump/table/dump.py |
sha256=Hm5kIriyF8lmaFXzjoxHzB7QhAbHKTCLRMHDu_dkzEM
|
6001 |
atomman/dump/table/process_prop_info.py |
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|
5355 |
atomman/lammps/Log.py |
sha256=VDJueNtrlxOsb8azd8CnNhcnycxIta3IgJQAAZ5JkS4
|
13597 |
atomman/lammps/NEBLog.py |
sha256=9PM9GCHNW-wo-7L154wKCQZhCCtHKSiJVkKUhg9DRTI
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6766 |
atomman/lammps/Potential.py |
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3143 |
atomman/lammps/__init__.py |
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atomman/lammps/checkversion.py |
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1020 |
atomman/lammps/normalize.py |
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2647 |
atomman/lammps/run.py |
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5516 |
atomman/lammps/style.py |
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7239 |
atomman/library/__init__.py |
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atomman/library/load_lammps_potential.py |
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6638 |
atomman/library/Database/__init__.py |
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2750 |
atomman/library/Database/_crystal_prototype.py |
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17695 |
atomman/library/Database/_reference_crystal.py |
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26265 |
atomman/library/Database/_relaxed_crystal.py |
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20741 |
atomman/library/record/CrystalPrototype.py |
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10644 |
atomman/library/record/Dislocation.py |
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9610 |
atomman/library/record/FreeSurface.py |
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7363 |
atomman/library/record/GrainBoundary.py |
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7995 |
atomman/library/record/PointDefect.py |
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7211 |
atomman/library/record/ReferenceCrystal.py |
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15360 |
atomman/library/record/RelaxedCrystal.py |
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20819 |
atomman/library/record/StackingFault.py |
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7541 |
atomman/library/record/__init__.py |
sha256=yDAxuAEFbe9vu0F3nObTaRBHAdSOwXQ7jYg2R1ue92A
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785 |
atomman/library/xsd/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
atomman/library/xsl/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
atomman/load/__init__.py |
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1885 |
atomman/load/ase_Atoms/__init__.py |
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atomman/load/ase_Atoms/load.py |
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1585 |
atomman/load/atom_data/__init__.py |
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atomman/load/atom_data/atoms_prop_info.py |
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14733 |
atomman/load/atom_data/load.py |
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