hotpot-zzy
View on PyPI — Reverse Dependencies (0)
0.5.0.1 | hotpot_zzy-0.5.0.1-py3-none-any.whl |
0.3.4.0 | hotpot_zzy-0.3.4.0-py3-none-any.whl |
Wheel Details
Project: | hotpot-zzy |
Version: | 0.3.4.0 |
Filename: | hotpot_zzy-0.3.4.0-py3-none-any.whl |
Download: | [link] |
Size: | 1447811 |
MD5: | 2e2846ca72ceb15507ce230c3e0e3470 |
SHA256: | 22d53c813f33fb6dc51303717620b4e988acf64bbfe40d0347b24b492cd006c6 |
Uploaded: | 2023-10-04 00:43:32 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.41.2) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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hotpot/__init__.py | sha256=OKXS5x493Lquxm-lzO_MBRE6S_d3dJXfK_2BmNzC_OM | 834 |
hotpot/_io.py | sha256=P9GmiN5MCGNEHwldlqndyF-LezcszChNLtlPfsJmD9c | 40618 |
hotpot/bundle.py | sha256=h4UqlfT3EuuskJf6RoAZiTX7FSJg8f-m87Re4xqp1fQ | 26517 |
hotpot/cheminfo.py | sha256=pQIE9sacpexqqufS7AKnGI6aOJJwOxZJyEjAAMNEjFg | 152239 |
hotpot/search.py | sha256=SN7UCiB-T001ioYNmxKfF70EIuSND_Q2SMNzBF1SLHU | 2122 |
hotpot/substitute.py | sha256=Pooe5QC2m3Y1a0_dAowXT0tNs-WE_1Om8taQamNiyDQ | 11519 |
hotpot/tmo.py | sha256=ESTJDhhQaUesaVK2ZtHnJlfaDVWueWSCdyoQPdOccQI | 2838 |
hotpot/tools.py | sha256=2asexEgwJjbDgpYRzoerQw_U1oLyyaM6ZCcYAM6SOCU | 2805 |
hotpot/data/atom_single_point.json | sha256=EtEpAu7niz2RHkG3Br5dOyhGRRwKRnGCG6HfgYkOWUE | 13800 |
hotpot/data/deepmd_script.json | sha256=eClqdo-FnIp4tB28ydhXyd7-R1EFLQbyp4-PQ-AC1Ro | 1874 |
hotpot/data/goptions.json | sha256=5-fYm2Jp3RagZ1Hg9Yg7JMsjOFZbFitITuRiDZUV7eM | 4457 |
hotpot/data/periodic_table.json | sha256=Ct1mVuIGe9dkfa2BVxTcpbqeBL5CsfaU1WldzZzitpw | 231681 |
hotpot/data/substituents.json | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
hotpot/data/units.json | sha256=WOqAKXlfhfw6JxuDJRpLSSHKTtg_PMKFUGVMHUrjmNc | 182 |
hotpot/data/force_field/contents.json | sha256=POLGsM-qNXuAsMaASck0wuTJ9p_Orgg--iP_4xiiLkM | 82 |
hotpot/data/force_field/UFF/LJ.json | sha256=eruIRoFhCbCXEfaPRrS6sSfrHz5Tyt2X979p05iOAfg | 4606 |
hotpot/data/force_field/aMaterials/SiC.tersoff | sha256=FXoVWj_CY9Q7MNvfTMwo8NYzznESxo3kL8CbWtBwzmQ | 1701 |
hotpot/data/solvents/1,1,1-trichloroethane.mol2 | sha256=G8equQlczePJ6KP4gu_s3GtvMRhBIWotyA0MC92QypE | 946 |
hotpot/data/solvents/1,1,1-trifluroethanol.mol2 | sha256=sinEznPjWkOOwf30Iz9sAzfW4OvySArshhiQNOnHxNs | 1039 |
hotpot/data/solvents/1,1,2-trichloroethene.mol2 | sha256=eInze2P61agA-kJT9KSDhejaxIabs2PlgTXSGxtQrxQ | 760 |
hotpot/data/solvents/1,1-dichloroethene.mol2 | sha256=b4MTjppG_81Uz1TTQYZOX1BX_te5sE5WnR-IP5ghCB4 | 757 |
hotpot/data/solvents/1,1-diethoxypropane.mol2 | sha256=lsFPEYNrcSy9dAdLQfcya6UdEZ0Jg6bQyWvSq83Lquc | 2525 |
hotpot/data/solvents/1,1-dimethoxymethane.mol2 | sha256=NLyZKQqk9AvCN2knp384XgTP_hhpfDB8ixx09e7ScPc | 1410 |
hotpot/data/solvents/1,2-dichloroethane.mol2 | sha256=CX2e1ylCN-z484z4h_h0QHKobu342RgxOQQ3DZUkStk | 943 |
hotpot/data/solvents/1,2-dichloroethene.mol2 | sha256=DOmJ0XOr_YVbJNdDdAhLo-tkKLL7Q_7mU2bRPl8-VNE | 757 |
hotpot/data/solvents/1,2-dimethoxyethane.mol2 | sha256=IKj9S0XMH3wMhk0v5AkB9qyCN8sLHDbbvjHVk90JHhY | 1688 |
hotpot/data/solvents/1,4-dioxane.mol2 | sha256=z2b60fYY-lW9h5bM1h3owMYUHsA_BvCAITAwtiiSn4Y | 1518 |
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hotpot/data/solvents/1-propanol.mol2 | sha256=3YR_XCTiiCY0fmZupXYJaYtYj4IN0EmL7geVxSE7UEU | 1307 |
hotpot/data/solvents/2,2-dimethoxypropane.mol2 | sha256=lGZWI23dAPj0ZNywPkD8vn0rRdhaALH9gEHhxqBJm-Y | 1968 |
hotpot/data/solvents/2-butanol.mol2 | sha256=ErydOtk4bH_yabVBxy1KEqXUHCNxl6HIuSv8ksaZ0KU | 1585 |
hotpot/data/solvents/2-ethoxyethanol.mol2 | sha256=40yPiD8m4vj0wabG_bQrWf3fWoNry4nFiwoBVUC4yis | 1684 |
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hotpot/data/solvents/2-methyltetrahydrofuran.mol2 | sha256=fywo0hURoBMJSEtayKn4gRJosZVVbOqr2lstYQ7fHP8 | 1716 |
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hotpot/data/solvents/DMSO.mol2 | sha256=wRqYH-aD19-8Pb4IJ-ErR_wVyWDA5Gy3jVzZcYO5xnA | 1115 |
hotpot/data/solvents/N,N-dimethylacetamide.mol2 | sha256=EdTHlc7gflj02_RGbTQBlhvJR9fKznzugCoQW8QqSm8 | 1597 |
hotpot/data/solvents/N-methylpyrrolidone.mol2 | sha256=4xMdg4IX2YIV6F0dBd8e7YMaZr_0y4DoJORMGSf1plk | 1712 |
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hotpot/data/solvents/acetone.mol2 | sha256=Grt7bbRO0pxtvs6s31Pqz-ujXWjjmMS4L_eyCfIpaac | 1118 |
hotpot/data/solvents/acetonitrile.mol2 | sha256=_VyJ5sFGPaRw3WD447CcSxFIvqvIJ7CUfnJlqDcqDS0 | 751 |
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hotpot/data/solvents/carbon_tetrachloride.mol2 | sha256=Y-Jhld7AcibClhYKNYnw228w4CTKVxJVs8ASR9W1yiw | 666 |
hotpot/data/solvents/chlorobenzene.mol2 | sha256=6gILo1CT54_ApCVBRc2tjQ_ZytfeUkDxCrJYgvP4vN4 | 1334 |
hotpot/data/solvents/chloroform.mol2 | sha256=Xp5Kw51TKu_tn9gzR9NwtVWx25cU0Xk7YLyG9lRx2Qg | 656 |
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hotpot/data/solvents/isopropanol.mol2 | sha256=WxW3ZzIVvWE8HKW_1a9kbogSH1OXMt-iWdk7lRykHGs | 1308 |
hotpot/data/solvents/isopropylacetate.mol2 | sha256=8PPjGIhRE2ogPoe5ZElCFZyvjmGAo3jWY9Xu4bVannc | 1778 |
hotpot/data/solvents/isopropylether.mol2 | sha256=kWCnqpFHdfKyEY7tLUIvu7jUoER120q6P6w4FZ_Zdhg | 2148 |
hotpot/data/solvents/meta-xylene.mol2 | sha256=gpsTeOXdOQArixfIDvnCM7mf1csDtc9LZLjQeCNgs_g | 1890 |
hotpot/data/solvents/methanol.mol2 | sha256=NI3fQwgEEovhLJGXDIvE9ETAjNOlI5pG93SbuFX3L-Y | 747 |
hotpot/data/solvents/methoxybenzene.mol2 | sha256=9X2GIr_AAySAgGGCaGsAvbkys1bnT-3YLjE4NOXhz-I | 1707 |
hotpot/data/solvents/methylacetate.mol2 | sha256=Vpg_wzDc0JsS66KcDfu0vjRFIY2AJRs7huPtDkhhUcU | 1217 |
hotpot/data/solvents/methylbutylketone.mol2 | sha256=SDulEXE_ws5kNaJXc8EVSdTvn1jvHh9GixCpYE3RdCg | 1965 |
hotpot/data/solvents/methylcyclohexane.mol2 | sha256=2F0QA64Tx-1rQcsAmg_Y0nVofL03hVA1sMetPvTRrBU | 2175 |
hotpot/data/solvents/methylethylketone.mol2 | sha256=vG9e0Ijx610DEnQBFoHBl6M3X6cvFQ3AT9ldp7VH1pE | 1407 |
hotpot/data/solvents/methylisobutylketone.mol2 | sha256=BxEYnHOAQY5EUCeiKC4MSL1eEWMZKTmvxMvYyEkNG84 | 1968 |
hotpot/data/solvents/methylisopropylketone.mol2 | sha256=BfSZaNbHTQNBuRxpe6UeoSs9yE0vCdw1Ua_GpPgxxms | 1690 |
hotpot/data/solvents/morpholine.mol2 | sha256=ElNlZFXm0kpgtw4mAXTAJP8GsJi7PtiYEjPAk4iBYp0 | 1610 |
hotpot/data/solvents/nitromethane.mol2 | sha256=mRsw1ljVLSMj2AIBV4szCflErLouacf2lu4IuEY_Dek | 844 |
hotpot/data/solvents/ortho-xylene.mol2 | sha256=XfU8hRNetS2ihReS1V8-dmVYhc5GpWNdxKyRIiOSVMI | 1891 |
hotpot/data/solvents/para-xylene.mol2 | sha256=dhaRofvDnaOh-EJLk8KSIeMc4wz2pvMlsaobKyE7CB0 | 1890 |
hotpot/data/solvents/pentane.mol2 | sha256=Cp41pLQJL4yk8zO1_0spVwlRpSDic8_4l_EoW0pCSU4 | 1769 |
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hotpot/data/solvents/sulfolane.mol2 | sha256=vI4a8Yhi5juKSA7tfQXKFn3CpD-_JZIrdRPegLhGobQ | 1609 |
hotpot/data/solvents/t-butylmethylether.mol2 | sha256=fyhhDKISf7I_jPgAvOFnF6hiyMHC8XRVo31nmUaLbhs | 1873 |
hotpot/data/solvents/tetralin.mol2 | sha256=DCic5JlRz3nh5T2cl0uM-IrXcx2F793Vuq_QCKRCaFA | 2283 |
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hotpot/data/solvents/water.mol2 | sha256=xBuOAfmv_m3VkjXuJIDtpvzfUMl_6CDT6GEbCFbnqWM | 465 |
hotpot/math/__init__.py | sha256=cIJmuCi9OmbzYCjOmE9PpoP4EICThOxqSelqg5WOd7c | 120 |
hotpot/tasks/__init__.py | sha256=IkI0JBxswypqYIeVF8M5httC8B-a-mgBdnRKT-JCLCg | 205 |
hotpot/tasks/cc.py | sha256=cGiB1jGUAQn6k61F4Sx6s8RGPKeyH5pd3LSRG9ZR_Es | 12414 |
hotpot/tasks/deepmd.py | sha256=YZt4J45qZodztCkEDxb-qMLgJJ5j-807n8q-7dHRO9w | 9464 |
hotpot/tasks/features.py | sha256=6yOhCD66I3ktQnn-JVq-P24gNlUWq4FXakw6CZ8cqLo | 149 |
hotpot/tasks/bayes/__init__.py | sha256=6w54OLY4YOb4-qMCKJWncl0Djp3C3AQuUcFJS0oiYyI | 120 |
hotpot/tasks/lmp/__init__.py | sha256=oeA2eKoyWsdhrNqk77o9pJf8LAx2ZeN6erJ32ka4Hwo | 269 |
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hotpot/tasks/qm/abacus.py | sha256=rZ3mYFHZVaeN_2jWnebpwdJkHdZWemKQi5YK2UilHRo | 116 |
hotpot/tasks/qm/gaussian.py | sha256=5joijXL-jfIzzsBpY-DeKQ57g2bnE-vFgfxoRr5ZJe8 | 51086 |
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hotpot/utils/library.py | sha256=T7QG2iljozEcCD06VkdjwFNKhyB_kgpGhuSs_EWwD_U | 3979 |
hotpot/utils/manage_machine.py | sha256=zYCVc0Eq56GE37bfRV8HL4cKWrtaxfFurVShd_FR2pY | 1403 |
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hotpot/utils/units_convert.py | sha256=q6BoEwO8acT6zflLmet44zLzePGOcSjqG0XCkrFse2g | 642 |
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test/inputs/glog/Sr-UDIRAA-1.log | sha256=fU1_pxq-zmv78URSxroMuZ3hDSY7Q-dEwYl3gRwwRVk | 378302 |
test/inputs/glog/Sr-WUDCAB-4.log | sha256=2AVlj_OknS_dC4VIYsxtCI_KUjUsiRMuMtOC6oc_G8I | 249937 |
test/inputs/struct/0.log | sha256=8jb8rOizLFhZ7WYE-vdFppw4cSEwfJ772k3Ei35lZi8 | 363848 |
test/inputs/struct/Bi-ligand.mol2 | sha256=VMv3fOoO0DqWXj-9EBkZWBIy-t6wYFrurHoqy1pqgCI | 840 |
test/inputs/struct/IRMOF-1.cif | sha256=5dCz1yRFwVzS7QKjb6L989XRP2whRBmER1RJ1I0_CtI | 4591 |
test/inputs/struct/Li-ZADQAA-8-L.gjf | sha256=1FMkX9X_pqXtS3tzWvXei64gmb6jipZNnTEHG1v1oR0 | 228 |
test/inputs/struct/MIL-101(Cr).cif | sha256=HozyaySYlwQ4J3IfTtqmafEg34DkKRUqI_ZAA2mDE3Q | 10945 |
test/inputs/struct/aCarbon.xyz | sha256=q03-PTd071Cj8HfOlNYotXKFIAkZefQMK84CLv26c1w | 51433 |
test/inputs/struct/abnormal_output.log | sha256=BlkdfawlIkfpJ8Plk8QUfipNCtFL7b7jr4TgsPtRhF8 | 973096 |
test/inputs/struct/cage.cif | sha256=ut8lG_d44TI6TrcpL96BVbRkzzw5JOyVmvEqQuozQBo | 14953 |
test/inputs/struct/mol.mol2 | sha256=o5Dob9UQBTsv5XnfBrhrwnI04ZRKPsox0ABz1E-cr90 | 12564 |
hotpot_zzy-0.3.4.0.dist-info/LICENSE | sha256=m20FdGnGoUzfh9CJD52XPY2lu3RF10KSTrw2hDdaeeI | 1070 |
hotpot_zzy-0.3.4.0.dist-info/METADATA | sha256=UMaULWJkyTM9j-eq0kW8vRO49UekJJrhm9oIeFJ7whA | 11147 |
hotpot_zzy-0.3.4.0.dist-info/WHEEL | sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A | 92 |
hotpot_zzy-0.3.4.0.dist-info/top_level.txt | sha256=07N_Igu4U6jaRO-y4m52VgtyyV00uNOj_ohMrLRoSEQ | 12 |
hotpot_zzy-0.3.4.0.dist-info/RECORD | — | — |
top_level.txt
hotpot
test