| Path |
Digest |
Size |
| pyxtal/XRD.py |
sha256=C67Uj4vDo2bB3PjH-u_39hADkf42tUu9uP_58sEPC2Y
|
35058 |
| pyxtal/__init__.py |
sha256=ku73Q8skKrk3MhpfXmRzXXrWQhxsrjR4dih_7V9uP4M
|
147913 |
| pyxtal/block_crystal.py |
sha256=HISNzNH4A3dClb8A6vedK6vP4lxlYjmneXNWAHbrVXM
|
5457 |
| pyxtal/constants.py |
sha256=C55M_6spgZXvR_IcT-o2PU0QV7ud3lnGFpGMw7Xo0XI
|
2209 |
| pyxtal/crystal.py |
sha256=0aDgBYbIezBqAmHhXCg0jR9ylBOkpo4GGNkgJrb0J94
|
15153 |
| pyxtal/db.py |
sha256=0WtHS2rRVBhZQx-gOkF7tyfSfbUIj__LaaMOiAH3E0c
|
68446 |
| pyxtal/descriptor.py |
sha256=w1Y8V1Tvp6hOpAFz-ppj3sB2bJx2qUfufT0SB31eKn4
|
18863 |
| pyxtal/elasticity.py |
sha256=YxwsgVfPlV4c8LStqCtmCiwUB92WVd3EvUGJ4mlUoKo
|
42759 |
| pyxtal/io.py |
sha256=M8ytIxCkQzBRu056sjEzTrzx2xuDl6uW2mpbMG2Fw1U
|
23246 |
| pyxtal/lattice.py |
sha256=QBbI3alnHKAtJO5ydH9b9Lk5JWknedGuOHY46Kn73Qs
|
77068 |
| pyxtal/molecular_crystal.py |
sha256=6lU5nhst4LiFylpTCw-UrMNOBxPHRylI4aLjLm3p8X8
|
20667 |
| pyxtal/molecule.py |
sha256=6MNkvohATiCmZC7rGUKBD_iAlA-sFHwv5DnLfwd6Y8A
|
69620 |
| pyxtal/msg.py |
sha256=5mGwnZ-aHzSywcHCRiHkjmQ3VShiFdTnY2H3Yq1NMy4
|
2755 |
| pyxtal/operations.py |
sha256=uiEwckdxJbeiUeEEB_dg6okKa7_CUaTUFzHUqtNMhXM
|
36751 |
| pyxtal/plane.py |
sha256=EXC693E2br3HRKKrppP3zGz7AGQvs5TTIjbWSt6CR_8
|
9738 |
| pyxtal/representation.py |
sha256=lYev_bHhIESi5xtd2-XOvYIhMDnqZHu4HHJh1hmQaD4
|
18144 |
| pyxtal/supergroup.py |
sha256=dWF206IjJrRdIfw-nrRoFts-cwZGVT15rwf-chzIDUE
|
46084 |
| pyxtal/symmetry.py |
sha256=l_HcmrqbX1OYgRVPkCj1GoXrsO0ug1gnXRKs2k_HuX4
|
153372 |
| pyxtal/tolerance.py |
sha256=pkI3csjfPXub9ZcnIlrbK4OPtYRhVNmhPihcOPZJT40
|
10570 |
| pyxtal/util.py |
sha256=8VFAm2ul_f-PzXaq7jCmBGWx_bsPYG4DzpVxXh2mlFk
|
21891 |
| pyxtal/version.py |
sha256=ykcEiE2faAYh8OjffV4tcG3kq27rdyGlgvAwi1Ar--8
|
78 |
| pyxtal/viz.py |
sha256=SqrsC1DwYsVkEmUo_KNuEcUZcLg3swh4DqBH8w59ZpI
|
13459 |
| pyxtal/wyckoff_site.py |
sha256=NtM_x9MIi_HNxDTIR-RzpZiEUr1mx1qtS3Y-UsKu8Ac
|
60910 |
| pyxtal/wyckoff_split.py |
sha256=bfHeqSIR4UmGk9TW2uNQqGX4ZKAQyA9qjn4lHhZzNes
|
22787 |
| pyxtal/database/HM_Full.csv |
sha256=sJQfJtb0QVBJj__oGI9UCRPopH3hEDaw_kgHH2K1zBk
|
22285 |
| pyxtal/database/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| pyxtal/database/atomic_scattering_params.json |
sha256=TrNIpZtn-NKE4K2jNjus9CHeMpai4EJRhyunE_gRQA8
|
6824 |
| pyxtal/database/bonds.json |
sha256=TWnx1icqr74bitQNJDmqhFT1lDbsSEz0cmFn88mbLKk
|
2120 |
| pyxtal/database/bug.json |
sha256=qeq2dtuSr5s6l_KgH4Q5TOnNazG7DJZVZP3YsrwVqRM
|
2950 |
| pyxtal/database/clusters.json |
sha256=mZeHzDuRfWeOrTRNyAwpdFw5MNLBR5ZylT3J0j_CrVU
|
1103778 |
| pyxtal/database/collection.py |
sha256=7r69vBVht7iEKjqRXmvzvf9ybl56BeJHd_o4_yZ_UrQ
|
2609 |
| pyxtal/database/element.py |
sha256=KGcdEXZE8n3l3tyoSVzs7HERagPkbp8TWKqzobMXJ1I
|
19199 |
| pyxtal/database/k_subgroup.json |
sha256=Nmvn8-JGwP_7UgD3YoNMzX2YT_MTy1MbE5b-uoz6exo
|
9679835 |
| pyxtal/database/layer.csv |
sha256=ka0HVaUbDFPr_7cIOg5rbSbjXpZL-1vTTQpDjua39bs
|
20717 |
| pyxtal/database/layer_generators.csv |
sha256=rSdlwFLAFATGbVFgecmLbXG_Wj20V1dBOmsKfAzeHYE
|
25842 |
| pyxtal/database/layer_symmetry.csv |
sha256=yRKpx1qn6Js_0Oso1LjsrExqga9Hs9dUCbNMxjCVEIA
|
58872 |
| pyxtal/database/mech.db |
sha256=hd676RgIT8ynStOLCSGok8qlSJljEeU4R9FMLhpBjco
|
294912 |
| pyxtal/database/molecules.json |
sha256=ABvfouN4g9Xfy6YJSdB3Wj0IVks_rMU8Vd-Oo7_9Uqk
|
90734 |
| pyxtal/database/point.csv |
sha256=QO7eBcLRxnPZa31hsYCzWS3doHponnLnHYXFZ6l4rCQ
|
130892 |
| pyxtal/database/point_generators.csv |
sha256=Jo8V7LcMdIHkjWyfpWlm7P8_LX8td29teuK8TNpJybE
|
146327 |
| pyxtal/database/point_symmetry.csv |
sha256=bh3tHbzJiwwSSA6wa5O08O7rb1cSeyUNlSvG0pFX0b8
|
301944 |
| pyxtal/database/rod.csv |
sha256=UK3ENphAdibtgGKO4JXr4M7ialbS7z1kEoijX6u1eU8
|
18501 |
| pyxtal/database/rod_generators.csv |
sha256=9EcifAH7BwmdwwA2-jTeabngciqMADeITxvU5sbf6Wk
|
21935 |
| pyxtal/database/rod_symmetry.csv |
sha256=Cxt-WggSnWKpYMMOvs8CfOjllUvQ7UyEB8q29HyO7uw
|
44320 |
| pyxtal/database/symbols.json |
sha256=tlVhvmkldWaY0uH59l9It3CRWOWBNSUgDNpoOxXHh1U
|
5478 |
| pyxtal/database/t_subgroup.json |
sha256=YwCcnmrcG0UPiqjiTWS6YtYa77tnk6ueZaLTQqDIPRU
|
1245398 |
| pyxtal/database/test.db |
sha256=hvudtNiCOUbw9DSe-wCT4ChjoBDPPG1yomACsgXSf-w
|
3969024 |
| pyxtal/database/wyckoff_generators.csv |
sha256=bWVBd0vAHW2zbx7Gt7ACBTiYB7KSBPYyiugLptLXGzY
|
259897 |
| pyxtal/database/wyckoff_list.csv |
sha256=ylZgIlK3iWEhJTyRBznvL8zwupR_KUA1j-uUHzDF4T0
|
251719 |
| pyxtal/database/wyckoff_sets.json |
sha256=7IjkmI6lUwwlH8REobnJwUIw68iehC1R9HEnp1pEwUY
|
117892 |
| pyxtal/database/wyckoff_symmetry.csv |
sha256=MGVDOwmxFJQz31xWEuVPqQED2mQIKUGg7Ww37tO98Ug
|
627207 |
| pyxtal/database/cifs/0-G62.cif |
sha256=-rszb-Yci2sEqB473ne28SAdxu9c6-W0KV8UBPhz8xU
|
2051 |
| pyxtal/database/cifs/1-G59.cif |
sha256=E0lrRQZolkkjXvvddt1Gfjgp8MSA1AkCOEyJeteDG_k
|
1921 |
| pyxtal/database/cifs/191.vasp |
sha256=cFKl58r-SylrrC-nuSirxFSrb3Nx9UjCiG4DJhSOw2U
|
367 |
| pyxtal/database/cifs/2-G71.cif |
sha256=M2YWSE2qR1i-8-RtU7QGfCw7084vLx7Qb7LgdD1SE5A
|
2043 |
| pyxtal/database/cifs/3-G139.cif |
sha256=EbnI7m3pmrsoNnLNyWuBPZCdm-EcWq4hafGCKyLgr8Y
|
2373 |
| pyxtal/database/cifs/4-G225.cif |
sha256=1CMwWhNh7hKcKro5-OpW6MU1Eh1XZ14fcRw_mdQB_gQ
|
5688 |
| pyxtal/database/cifs/ACBNZA01.cif |
sha256=7s4nESNMz1tgcE4Snyi6XlA0DMfPkRRz5tPBusywvto
|
2940 |
| pyxtal/database/cifs/AXOSOW01.cif |
sha256=8utkwxKTrgFz7DQH9KEDG11UatofoIwOJckudk1KPcU
|
9863 |
| pyxtal/database/cifs/Al2SiO5_mp-4753_symmetrized.cif |
sha256=JwXaWlScq0GoX6P-XoDAXUXAIv_WdUr6qgE0hctSIig
|
1184 |
| pyxtal/database/cifs/BTO-Amm2.cif |
sha256=MzyPXJ8p3brn-6KLpj8ZaWYkpRFJgBrM9wPx0brmuNM
|
1009 |
| pyxtal/database/cifs/BTO.cif |
sha256=0O3LeqlT0QKnXer93ZhAPU_t7INxZ_2ZWpXLXhlGwnQ
|
1323 |
| pyxtal/database/cifs/FAU.cif |
sha256=d__kEN-4zEIcRm2b8SSduZdchSLKMjuRG_pntcRwIa0
|
4636 |
| pyxtal/database/cifs/Fd3.cif |
sha256=Ne95yGV18yXHdheEgd6x2K3Yt_CG03EUrySIqVKwDNs
|
3542 |
| pyxtal/database/cifs/Fd3.vasp |
sha256=ZAiv7wVht0Yi1Bt5sa1dZEZF1we3kIOadqSi3cxvZ2M
|
6258 |
| pyxtal/database/cifs/Fd3m.cif |
sha256=5IrkIVrGX9kMQHWhETv_PsVq7sxSTTYJ2RdMaIAv65I
|
4992 |
| pyxtal/database/cifs/GUMMUW.cif |
sha256=5RGOOCrHPr1SBX2ccrKT10-5cTLZqkCX4m6u49wKu0s
|
9559 |
| pyxtal/database/cifs/GeF2.cif |
sha256=NDoZ3BdZmPJxxFXy3f9wtuevI42vP6DqbK6L9jMap6E
|
885 |
| pyxtal/database/cifs/HAHCOI.cif |
sha256=VMBaLOJCY1s41zAuQMNRIyEy4JXgWgif2L_4cZbSprs
|
2946 |
| pyxtal/database/cifs/I41amd.vasp |
sha256=09nOhgDdkYNQkGvImtIG-50ErKbf0-iyu48xLLft6Vc
|
221 |
| pyxtal/database/cifs/I4_132.cif |
sha256=Rr3ZqVvPiY8GHjQ-0Yu3-k3w4bMk6RDgWC-wNHAZ2so
|
1836 |
| pyxtal/database/cifs/JAPWIH.cif |
sha256=sw1UhcBXWHTOmzAUJOyGiFqEmnpUP10ZYK3RZT_gQmM
|
10505 |
| pyxtal/database/cifs/LAGNAL.cif |
sha256=OgGsqesLndrPdQECX-4oFoj9SGim2XeIRh8I6LdgE1o
|
441469 |
| pyxtal/database/cifs/LUFHAW.cif |
sha256=6KMC3sPu8IElJvNl4fxDDxyuyHHe9AefixrccwRe7Xs
|
7132 |
| pyxtal/database/cifs/LiCs.cif |
sha256=egzdCHW43rNzsspZthEEVNO7aShDrC-Ul7Y5wGOPAKQ
|
2001 |
| pyxtal/database/cifs/MERQIM.cif |
sha256=-FfVaYMOZTeCmJPMwVdstB-zuBytbFlcy3k6zf1oCo8
|
12413 |
| pyxtal/database/cifs/MPWO.cif |
sha256=Vs1foZ5O2kBRqCJYJQndFzPHlLPgC_dweCMpjaQqOsI
|
1238 |
| pyxtal/database/cifs/NaCl.cif |
sha256=ZLr1VY0oe6HvvSuAlHV068McMb5EdLsmCuKkUQ5pcyM
|
4577 |
| pyxtal/database/cifs/NaSb3F10.cif |
sha256=zZnvg3XA-t6qraaP3WnBQyMDKXjvUEGRU_1M3y8s20g
|
1416 |
| pyxtal/database/cifs/NbO2.cif |
sha256=bsvwgOvIXw7gHi7rFvkrvUVWNniXbhxBS6eC7Eg_J68
|
1180 |
| pyxtal/database/cifs/NiS-Cm.cif |
sha256=OCM1nFVaW1mrLtfhcMdlZnzKAHtqYfVWb5oqnuJvvw0
|
1696 |
| pyxtal/database/cifs/P3_112.cif |
sha256=wDCe-3tTw07y_39z7uleij5bFUYr-IK6aj5TX8NWYBQ
|
1134 |
| pyxtal/database/cifs/P4_332.cif |
sha256=k64k0vrCPm1JjL_bOeNB5T76s69fh7N3HqHVpt9vDyI
|
1498 |
| pyxtal/database/cifs/P4nmm.vasp |
sha256=VuAfr2yEMoNnFBtxwPOClpfNAy88ikhvRkVzGmAWF7o
|
226 |
| pyxtal/database/cifs/P6_422.cif |
sha256=cnrh5AGJ0efMgbWH-X4ewL5FKRccF_A33gfbwXdxFv8
|
1205 |
| pyxtal/database/cifs/PAHYON01.cif |
sha256=zZb_1HU6qbhuPwbM9Ik9Ks7x7Nq5u4jgBfqvKk4mu04
|
6482 |
| pyxtal/database/cifs/PPO.cif |
sha256=tBUg9sKpl7WOKD1xxN0RVvJeY6Biz2_OyagP0Klf1VQ
|
1184 |
| pyxtal/database/cifs/PVO.cif |
sha256=33hRrHvzadsQiWCxc-GEajz1k7XIq80OfMdRH1IWSXk
|
1086 |
| pyxtal/database/cifs/Pm3.cif |
sha256=06uCdeKwxiSphTe6xyMVyBtlsqbQf-JZvhEmlmVo4rc
|
1222 |
| pyxtal/database/cifs/Pmmn.vasp |
sha256=dMWhYvmgzzu9Hd5FsOygqDV9Fzl_PKYdkF9qzyEzB-Y
|
230 |
| pyxtal/database/cifs/Pn3.vasp |
sha256=TQMOHNnucPXTiGkzbx0RR1SJzVUcWUWGg2JE_NWiR0w
|
286 |
| pyxtal/database/cifs/Pn3m.vasp |
sha256=01pgyBxlr8AThfwVRQsYPyWvB0v2M4Fr_wiDxA7rH4w
|
286 |
| pyxtal/database/cifs/R-3.cif |
sha256=aX45Byf_ZKhLbvSJScEhlZJVxA1_zFFtixFHdXa6WSQ
|
1605 |
| pyxtal/database/cifs/R-3c.cif |
sha256=yLmd9xiAChNhasgv7XmaSuTmBgl17Ac3YW1sgGii-Hg
|
1933 |
| pyxtal/database/cifs/R32.cif |
sha256=4WxuVVFopUm37gnKyRe3lgnpgTe5wgcf8S1-BZxMJvU
|
986 |
| pyxtal/database/cifs/TMPPIO03.cif |
sha256=mRjzpucSu9202T75FRxOcxkNEngAitvCuitZ3ASIA1A
|
3542 |
| pyxtal/database/cifs/WEXBOS.cif |
sha256=SUbVlAsZ1Zonwijsl7sKz8sWMZ9zFweTjbxeljnBtlc
|
13289 |
| pyxtal/database/cifs/YICMOP.cif |
sha256=qF5UiTwr_O_QheKU0PfcuDx9HMeOFTPRXZnm2FDLJMc
|
177150 |
| pyxtal/database/cifs/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| pyxtal/database/cifs/anthracene.cif |
sha256=M0j5c18gKGFWCVuv_B-f6jYCgUALKMWxmq2C6N84OQo
|
2546 |
| pyxtal/database/cifs/aspirin-c.cif |
sha256=ldMEib0iRHknONW_17vPBqnGZX3nK4q_Vyq4qR-s_s8
|
2703 |
| pyxtal/database/cifs/aspirin.cif |
sha256=5K2ccnv-vmvl6CGrJDd8O14lNReg16Y-_sHLBqTTLig
|
12951 |
| pyxtal/database/cifs/benzene.cif |
sha256=A5NLzPni7XuPJn61B8y15t00pQf6AWT0_BK_sO5ump8
|
1509 |
| pyxtal/database/cifs/bug.vasp |
sha256=6xz-ftS7q7DQEvw79JVCjaz2yvbb6XYSeNdJhYmoAxg
|
733 |
| pyxtal/database/cifs/c_bug.vasp |
sha256=XXeRLtFEK54tdQuLFsL9F8C14JRsZ4_4ZrwQE4P4FQM
|
1223 |
| pyxtal/database/cifs/c_bug2.vasp |
sha256=GNRqho-I7bwU8ya09kq-aC8htHhWchNs9B3i57qhcPs
|
1956 |
| pyxtal/database/cifs/coumarin.cif |
sha256=NTnyXE0oYPhxJmxrFAynoYaCne0xohD2swZ7Da34nSg
|
17895 |
| pyxtal/database/cifs/dist_6_0.cif |
sha256=DKIf2yehjCulo6jq_H_DhywkLpmr8TgYmXIL5ZLVByw
|
2260 |
| pyxtal/database/cifs/dist_6_1.cif |
sha256=HZiYRCPtPZxlZ6L7-GlR1_Ck0Ks-4hBbGWU3Ocs-rKM
|
2260 |
| pyxtal/database/cifs/gdh.cif |
sha256=ZMVIbbHfnWawp21FIhtSpMlSJ1Y0T6k0nKdIi-NfyoI
|
7884 |
| pyxtal/database/cifs/ht_KNbBO.cif |
sha256=lCm9u7fg7GKlgX8l7v8i08FTKWI4999OM_UO7zlzLyg
|
1964 |
| pyxtal/database/cifs/ht_cristobalite.cif |
sha256=BSv4y9Cquu743Givv2EXZ-r7v3bI_B_-RY2niMWn1Zg
|
5997 |
| pyxtal/database/cifs/ht_quartz.cif |
sha256=MDAphYFaWbiuxo5PdKCtSm2VoN5uuQ4tP6yjen7ZvcQ
|
1251 |
| pyxtal/database/cifs/ice.cif |
sha256=B4D7gCYfI1PKhv82L50K_kxE4XcYkmeLe5urg17E8bs
|
1864 |
| pyxtal/database/cifs/lt_KNbBO.cif |
sha256=kFbarY2tsOmYe-sweWy4nEn7yjnPd--oNRyMsgcTCwg
|
2869 |
| pyxtal/database/cifs/lt_cristobalite.cif |
sha256=qfh1RrQgjiS_jSxk04ylRCEz_fyJA2BznQuDLdl5am0
|
931 |
| pyxtal/database/cifs/lt_quartz.cif |
sha256=gCQ8r1ZATtt0ERC_pwrHTL2HkQ-v-ToOhkdan2C-tUs
|
866 |
| pyxtal/database/cifs/naphthalene.cif |
sha256=gJS7DTH4pcVgvxDzR7adKKAxcCp18GGX-4FfXTyVzUE
|
1541 |
| pyxtal/database/cifs/resorcinol.cif |
sha256=10WquXaT1ZP_QEApK8buS3EHRNvwpTmAztcVCq3JPDU
|
317844 |
| pyxtal/database/cifs/sim-0.vasp |
sha256=4K7BG6Fx5LYF71cN0-pE-EWcQTbg5oUXXdOehcOA9fY
|
473 |
| pyxtal/database/cifs/sim-1.vasp |
sha256=mU3fDI85JR3hK6iCNbZcCYI2qYYkN-s9rl4qOZuWVo4
|
488 |
| pyxtal/database/cifs/xxvi.cif |
sha256=ObJRzOEkNGqRHALPlGLIUAw5mF7UIxfOZ2xoBos9Q14
|
4786 |
| pyxtal/interface/LJ.py |
sha256=zGxW-gyU6iUpxYABIRcLsDYA_XFQ54MQI4-EHHhoOKA
|
13584 |
| pyxtal/interface/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| pyxtal/interface/ase_opt.py |
sha256=H_TOPKLvhBhpBdZGl1DcfZFgyUJWET-k1p__bQVjo7Q
|
6496 |
| pyxtal/interface/charmm.py |
sha256=nWVp6HG6manrsZKQs6WI0HYa7JLygAzqFeuQACFUkFs
|
28687 |
| pyxtal/interface/dftb.py |
sha256=vuG_TgCY6W4OL245tyumOG2zpQ8ytVhCf1ubonVlWV0
|
28628 |
| pyxtal/interface/gulp.py |
sha256=2CDhDpY_r4UcrECBQJQ7-X5-IF9OnvXr0hyj_c9y8tA
|
29625 |
| pyxtal/interface/lammpslib.py |
sha256=A3Iw-cIUxHOf19oOZBXi4RlQP0BR3eW_D-N9lIugWjQ
|
18912 |
| pyxtal/interface/vasp.py |
sha256=8KHzBYoGzQihOaFHHvFSm0pdD1jYZbZGnkAQGsdV5GU
|
9572 |
| pyxtal/lego/SO3.py |
sha256=LzBnmkuKd5H-u8Br5OE3AubLU_53BNxFl1iIABSQD-U
|
29158 |
| pyxtal/lego/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| pyxtal/lego/basinhopping.py |
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|
32254 |
| pyxtal/lego/builder.py |
sha256=WTAXu1ToKQhd9F2ZpSGA7KcY2inz0kPaK0eefN4ybmA
|
53348 |
| pyxtal/optimize/BHS.py |
sha256=pH8NyNTLwBj97_G37hjjbyENXsmlxUwCQbrlnCg60dM
|
9379 |
| pyxtal/optimize/DFS.py |
sha256=Rohyk9g8XvYjUn8had-LjZMoTb42NoeIsTzn654Z-7g
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12060 |
| pyxtal/optimize/QRS.py |
sha256=HnP7nOc8cov1lonsVJ_FTR8lQV0NHifiJSxAQg-S4tg
|
11075 |
| pyxtal/optimize/WFS.py |
sha256=2iDj7CSbzBjWUq6GFMJX8vIdmumw3gTBUuA-vu4SXvo
|
11414 |
| pyxtal/optimize/__init__.py |
sha256=uCu5bws9XKL7uA3yyu5ida8nY7lydJkwY_I-j4371CI
|
89 |
| pyxtal/optimize/base.py |
sha256=byiP4-gPv_eOokMK8JWxBC0d-TLOy6GvxvONApTJh5Y
|
48715 |
| pyxtal/optimize/benchmark.py |
sha256=uudaH_EQcIf29N2TUw52V2GbFebvzKIr246C2K_3Vb4
|
11912 |
| pyxtal/optimize/common.py |
sha256=7ltzgbXT9vEkTmX3aOfroFtMPoUIMmcQhNBLYYJrX_A
|
21788 |
| pyxtal/potentials/CuAg.eam.alloy |
sha256=yAqtX5z1wBYrll9c_58lTiwdbXiMikAZDsEKBj2wgGE
|
1820580 |
| pyxtal/potentials/LJ_cluster.py |
sha256=mZzfmWC28D_M7rEPYLMLJApk0ZYy63MAXrQyR2UNyJ0
|
1599 |
| pyxtal/potentials/Si.tersoff |
sha256=Xj5COMyAI_CYiNCPh3YXhjHrUuCIWC9xwSq2HAJ3e0s
|
837 |
| pyxtal/potentials/SiCGe.tersoff |
sha256=CCdcpHGWz-cQ23WmobykbQm1ByCZrKmgMHYlyFC9nLE
|
3991 |
| pyxtal/potentials/__init__.py |
sha256=cEuj6n7bok4vhwKFTQzHop3rAyY_Oaj3TfA0cKow5bU
|
26 |
| pyxtal-1.0.6.data/scripts/pyxtal_main.py |
sha256=UYURE4bVgVcAax2mBR5k2m3RdZgpEt_bW2i_sORrzw8
|
4159 |
| pyxtal-1.0.6.data/scripts/pyxtal_symmetry.py |
sha256=ebIusaxUN5L-_CGtTFmQb219vnZGW6I3wVSrK4m1SWE
|
929 |
| pyxtal-1.0.6.dist-info/LICENSE.txt |
sha256=SySSfb5hiBEmEZV2YyrPKkAWtGJVofXB1x1zgQsOnPM
|
1080 |
| pyxtal-1.0.6.dist-info/METADATA |
sha256=eguO9mfG-jqpOpqzGeT06CIthY3RIqeMKHnfx7yY7Ug
|
8159 |
| pyxtal-1.0.6.dist-info/WHEEL |
sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U
|
91 |
| pyxtal-1.0.6.dist-info/top_level.txt |
sha256=Uv9NzxUyqsHhVNI6FLASvzZkrdxaExrBIDS4zG205gA
|
7 |
| pyxtal-1.0.6.dist-info/RECORD |
— |
— |