Path |
Digest |
Size |
volcengine_qcclient/__init__.py |
sha256=ePQaNFO57gnSNgnVxw-eArke1LRa72v03WNIrokLNLA
|
70 |
volcengine_qcclient/qc_batchjob.py |
sha256=xHvhbeQi3x_niGMHhsnoK73-m3_4DXGhIqlwa_Af4_M
|
16658 |
volcengine_qcclient/qc_service.py |
sha256=PVvEpH6vfk1rfeqybfTcbOKyfcPDZuHtOae8hUP9Uto
|
14348 |
volcengine_qcclient/drivers/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
volcengine_qcclient/drivers/opt_driver.py |
sha256=bj14iatxuzhf51zEwRZhIHhegb6ZH23bVndFU5_gZJg
|
5408 |
volcengine_qcclient/drivers/sp_driver.py |
sha256=lvLalZojC0fhaJEhssoQRIUvtA_oe-w7axw3KjgJPac
|
9985 |
volcengine_qcclient/pyscf/__init__.py |
sha256=ZDFZHM6pbQLw_yX1-5VXVbV8a79Tliexk3LexX9OmeI
|
116 |
volcengine_qcclient/pyscf/_future.py |
sha256=569gES-DS6AuKBEYO9VU0Y87Esh7r0F_7rro83olVXQ
|
8835 |
volcengine_qcclient/pyscf/df/__init__.py |
sha256=_ShywF6FAZcox_kSMBgpIfOqQloo55OCty_9_QlMtmY
|
504 |
volcengine_qcclient/pyscf/dft/__init__.py |
sha256=fL9b3G3wSvhEiZthS6we0t9_vw4jg5BKJX5UsgAWBfU
|
75 |
volcengine_qcclient/pyscf/dft/rks.py |
sha256=EweSkWuVVYalAPZVFYmYRFq3FJEApK9WjdpkUS92hnA
|
434 |
volcengine_qcclient/pyscf/dft/uks.py |
sha256=LK09KaS4mhArDiK_gVLL7VWc3ENYUYuOlTmv0yizAw4
|
351 |
volcengine_qcclient/pyscf/grad/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
volcengine_qcclient/pyscf/grad/rhf.py |
sha256=oMCypdhNO4__hiQI-5FRfGKKE9xFSdbY3lJCmnkoWdk
|
889 |
volcengine_qcclient/pyscf/grad/rks.py |
sha256=Iaf75zyQlSJ5hROBlaGOv4OUQPIlqNplMB6MzW5j-bw
|
27 |
volcengine_qcclient/pyscf/grad/uhf.py |
sha256=Iaf75zyQlSJ5hROBlaGOv4OUQPIlqNplMB6MzW5j-bw
|
27 |
volcengine_qcclient/pyscf/grad/uks.py |
sha256=Iaf75zyQlSJ5hROBlaGOv4OUQPIlqNplMB6MzW5j-bw
|
27 |
volcengine_qcclient/pyscf/gto/__init__.py |
sha256=DqxPJ8ElqVLXgNKkoFHnWNroZpzvuEU_ICuhmgnbbaU
|
28 |
volcengine_qcclient/pyscf/gto/mole.py |
sha256=-Bt95BKTTH6MoR5d8YxMYKySJElCeuBnlqwdQge4BZM
|
1466 |
volcengine_qcclient/pyscf/hessian/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
volcengine_qcclient/pyscf/hessian/rhf.py |
sha256=oNd0rwknGneLs0OBcbUDTp7Yh8Di6riaI2KjEm895L4
|
803 |
volcengine_qcclient/pyscf/hessian/rks.py |
sha256=zweDkbNE6X7R16ZGaC0clprdWwJ9oUN38u2hvDouxcw
|
25 |
volcengine_qcclient/pyscf/hessian/uhf.py |
sha256=zweDkbNE6X7R16ZGaC0clprdWwJ9oUN38u2hvDouxcw
|
25 |
volcengine_qcclient/pyscf/hessian/uks.py |
sha256=zweDkbNE6X7R16ZGaC0clprdWwJ9oUN38u2hvDouxcw
|
25 |
volcengine_qcclient/pyscf/scf/__init__.py |
sha256=zTBORYqQt9JQfSl3SkqhsMHufPdIkaFU46D8Z2Bj1JA
|
672 |
volcengine_qcclient/pyscf/scf/hf.py |
sha256=fz4diWEHWX3kPA_mIsn8P2syzPbVTbjlP8GN5fjFygk
|
2138 |
volcengine_qcclient/pyscf/scf/uhf.py |
sha256=BH_BClPJEoy9cLY3OdbqhWAZBRGk-0ImaXrHbvvPJm4
|
74 |
volcengine_qcclient/pyscf/solvent/__init__.py |
sha256=dJwv8oV2avg9WzsXqGaZEdHSKSWHtf-P0VkW1A5I1qM
|
72 |
volcengine_qcclient/pyscf/solvent/pcm.py |
sha256=QlMDFtkB_r9IeL-w2_uCGj27YdHuSX0GxhjTuWcNCW0
|
663 |
volcengine_qcclient/pyscf/solvent/smd.py |
sha256=Fmrn0dwElZgXpPBXiQzBlcpPovGMSEOiHW-1KFalL0w
|
590 |
volcengine_qcclient/pyscf/soscf/__init__.py |
sha256=3tOKkiskZYpD3d2tF_CvN5guZyXIvv3T562snHj59Iw
|
259 |
volcengine_qcclient/pyscf/tdscf/__init__.py |
sha256=pnPzDa1jmnwUqOCzUsiFw8s1EcxpcC3YGPMWHsskto4
|
63 |
volcengine_qcclient/pyscf/tdscf/rhf.py |
sha256=gXpOHFsbNxB2ehV8uG_g1GY0nE7nqwgEMwmY5_6mPNs
|
1531 |
volcengine_qcclient/pyscf/tdscf/rks.py |
sha256=5YzTuZm_A9ii0GByUX1klBBYvcacZwmH0xoKis1DcBY
|
28 |
volcengine_qcclient/pyscf/tdscf/uhf.py |
sha256=2ecoqrVP7B0zeCIrnSOfx4T8dQN5LUwPH69ES_kvSJE
|
34 |
volcengine_qcclient/pyscf/tdscf/uks.py |
sha256=5YzTuZm_A9ii0GByUX1klBBYvcacZwmH0xoKis1DcBY
|
28 |
volcengine_qcclient/pyscf/x2c/__init__.py |
sha256=tR_9wzmprRRfICcIR8WeisWsZyL4wRabIM-g2dfqe4o
|
433 |
volcengine_qcclient-0.1.13.dist-info/METADATA |
sha256=csyecllVskATZR72t11bQLqzRybEM6Z3zXwytS2IFDc
|
6045 |
volcengine_qcclient-0.1.13.dist-info/WHEEL |
sha256=P9jw-gEje8ByB7_hXoICnHtVCrEwMQh-630tKvQWehc
|
91 |
volcengine_qcclient-0.1.13.dist-info/top_level.txt |
sha256=6uWOz0R9S8qE7gsWZTXSGepsuZ1aQHEPqvucVPQzU3w
|
20 |
volcengine_qcclient-0.1.13.dist-info/RECORD |
— |
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