Path |
Digest |
Size |
pyscfad/__init__.py |
sha256=otW9IJICIYE8N_qd_Pdx_hoNw03M4kT_QEPBdSzmCxc
|
264 |
pyscfad/implicit_diff.py |
sha256=Qsjf_lMjGnjDhRQVhbJUAUC7KdnLsc6zme5swy7-Hnc
|
142 |
pyscfad/util.py |
sha256=Gl6MjdwS9bwq4EnBFhAGuhixZvhVQy-i-Du5a2Fr_GU
|
84 |
pyscfad/version.py |
sha256=Wzf5T3NBDfhQoTnhnRNHSlAsE0XMqbclXG-M81Vas70
|
22 |
pyscfad/_src/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pyscfad/_src/_config.py |
sha256=Ib4_Mfp_JlI9tiwzncLYUCpPCfEB14Hdl41o9e4bkj8
|
1304 |
pyscfad/_src/implicit_diff.py |
sha256=nFxovUg9hIhYFH6tEse42s2NSzlMp_f0WcXbrDd_kH0
|
8866 |
pyscfad/_src/util.py |
sha256=C8-g8eAyuuR7XoAWnSZy6TFsDI-n6h_mbpEiZ54yToI
|
4375 |
pyscfad/_src/scipy/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pyscfad/_src/scipy/linalg.py |
sha256=5GUd5N5cUV5gGyZwFerLVm5snlmLsqMgkjgUCCrqHMM
|
3908 |
pyscfad/_src/scipy/sparse/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pyscfad/_src/scipy/sparse/linalg.py |
sha256=wSerPKVypMgAIXnjfU7v2LsL1yyXEZuwjAHwcXGzk44
|
3169 |
pyscfad/ao2mo/__init__.py |
sha256=XMQhloVFtkHLlUlPx0RyGMi-A4HqdTBq7aycfzY14zU
|
380 |
pyscfad/ao2mo/_ao2mo.py |
sha256=1EaKCpuM33SZT2S_IUKCsskJEDFAzBA0Z4__xwUhfpE
|
923 |
pyscfad/ao2mo/_ao2mo_opt.py |
sha256=xlMnaa6M-oeHoyU6C5H7Ef6_FjbKhE3DDZDJwOnzYno
|
2604 |
pyscfad/ao2mo/addons.py |
sha256=6Yqsvs-svZ9kCTRpdz-ajSi5ywKR8rYsJsVPFR2-C-4
|
1200 |
pyscfad/ao2mo/incore.py |
sha256=ZGVRT4fkAKIjUTGXaLJwmDEBqgdyYCG66c_qk5jTTc4
|
2573 |
pyscfad/cc/__init__.py |
sha256=6iNFlBWvVMNo7JbF3Qc13fKsywJFF58m7IqdB8NR9qw
|
118 |
pyscfad/cc/ccsd.py |
sha256=h2xAMNbnF443Xm7XhYzFu3MbrfGuIOlO7FHXKUtwYJM
|
16996 |
pyscfad/cc/ccsd_rdm.py |
sha256=4plVquWAupMXwUOAg-TRwIVd2MBb0cSLVXzeHMz7-Mg
|
1020 |
pyscfad/cc/ccsd_t.py |
sha256=5Q7qlEPjG3FB9l0zOzuDLgeWqz3ejYjnyvFl5dYtYJQ
|
6724 |
pyscfad/cc/ccsd_t_slow.py |
sha256=hLCz2qTcOeRDBlJDUokVsbbRidVs8_Nu8HH1JenJl7Y
|
8308 |
pyscfad/cc/dfccsd.py |
sha256=M2w7Vj-J-pAL7NjMGaFBanvMnT3NXZWFlPqsGFpH_Bw
|
2832 |
pyscfad/cc/dfdcsd.py |
sha256=AM1MNbBlxfgqMgwEQ6jP7olVEBoQxdCHtCc5Fk6MdJc
|
186 |
pyscfad/cc/rccsd.py |
sha256=8MxaaAeMBHpfWebPtI36T6z5clYDeCvZnG1-TJZA7xg
|
7701 |
pyscfad/cc/rintermediates.py |
sha256=RiAYiw2fwciB3SHuilOIG0ELtBOZCag0O4_bEq6iPDg
|
8416 |
pyscfad/df/__init__.py |
sha256=gtiB2Kl2x4OytxEGZmRS6MyLXz-4GUlCRHzcTaqgwxE
|
2347 |
pyscfad/df/_df_jk_opt.py |
sha256=V60SODnfG5ZvnfRVDsRmpXa2RBhEOlvm6JQVpkACE9k
|
3944 |
pyscfad/df/_int3c_cross_opt.py |
sha256=Pk79TuufKhj-18ozzR41zm7SoTheHKIl5fuMUQxfNpY
|
3985 |
pyscfad/df/addons.py |
sha256=p2Xg50eX5_NI0gt-EPMFJ9-ESvc0yzWDKGBkAYjstDE
|
1712 |
pyscfad/df/df.py |
sha256=AiEh20Nni4cnESi0UTOQBH41OTa7mAhvQu2WuOXxRxw
|
3576 |
pyscfad/df/df_jk.py |
sha256=gSQNA-qkyX3Hs97BfnZrH8MKZrRG3v9oDLIQJVcvj7A
|
1092 |
pyscfad/df/incore.py |
sha256=DLQHUA4MSNho4WYUuHkJZAl0-WtDSMhjZuZRavzKjc8
|
6988 |
pyscfad/dft/__init__.py |
sha256=OMdGzLGxQgfPBN07nc02z0PTUFvm-c-TXzGWe22RBNM
|
32 |
pyscfad/dft/libxc.py |
sha256=ziP3iU0e0lXcKv80qyNkVUEdWvXG5ESehiYCOeafMJc
|
5321 |
pyscfad/dft/numint.py |
sha256=nwOSqqIIDNqKCedWwwtvkra86WQT_PC5H9zfsZPh-ww
|
17525 |
pyscfad/dft/rks.py |
sha256=82ETr-KpSyDVQz_g7szTveoiek3dUYTWyRj8zvJvolo
|
6843 |
pyscfad/experimental/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pyscfad/experimental/util.py |
sha256=BCFz2PSD5H0gCfdEHut0Q5RArQfwgihVejlJtlRVIWI
|
935 |
pyscfad/fci/__init__.py |
sha256=LdDrlayWtoYLjkGd_0Wk-AiscViRud-4IF2wycaz5eo
|
566 |
pyscfad/fci/fci_slow.py |
sha256=9wu4zaCktltFRz3E5dy0-xnztMb4twkkCMCdCcHRiAs
|
6595 |
pyscfad/geomopt/__init__.py |
sha256=rwSRn72hJEbxn0S07Trb1u2l603FS-t_2dSZCER7vbs
|
225 |
pyscfad/geomopt/geometric_solver.py |
sha256=kIiL_Y1wQpD_SSDi_0P1wAubxHmgubeEWX7Rtu8LVak
|
3099 |
pyscfad/geomopt/log.ini |
sha256=emNLJ70gE_BcTQBo4yMwkYVqT--C2TX49DHX8UC-K5c
|
288 |
pyscfad/gto/__init__.py |
sha256=6IaEFzDZ654A0cFZ-AMgkzJB2Ah0XHDyryJ9SmJzhm0
|
63 |
pyscfad/gto/_mole_helper.py |
sha256=4bOJS8TKDYounJUL3_om_-DJMUxmr8llq9D0sRW0HFs
|
5377 |
pyscfad/gto/_moleintor_helper.py |
sha256=djqCIWOY5flmd_RxoND55U3YOPMAq80SwZcznw35LZw
|
4866 |
pyscfad/gto/_moleintor_jvp.py |
sha256=wZ4EX_v7Gbv2YS7P6-qQuhWcyj1zGTG1KBkfgAm5Rs0
|
38563 |
pyscfad/gto/_moleintor_vjp.py |
sha256=Rz-gBMO_gMTQg5JRwvEk9w9_pDjORLZFFarg6i4PAuk
|
14751 |
pyscfad/gto/_pyscf_moleintor.py |
sha256=qGnG90XywuDHmB1O8aouV9dnxSw0OM6DPcPmHKR6V8U
|
6832 |
pyscfad/gto/eval_gto.py |
sha256=fw_21mzvsBy5sfyqTVTRrNDaaHSNqbLNsFw4Hblmx-U
|
13732 |
pyscfad/gto/mole.py |
sha256=rR_14IjN2YS2xeob_eOR35le4e0Il5w6f8r6Zl1tQVI
|
3933 |
pyscfad/gto/moleintor.py |
sha256=HvLNbE-i4RWWSx3Jtx4hVE1kn8-AJ4MArlu0Deww6Rw
|
1746 |
pyscfad/gw/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pyscfad/gw/rpa.py |
sha256=gJ9a2Z_ay5mpLAvfQ_h9vF95lJZLOnB38h0mG-uV49g
|
5356 |
pyscfad/lib/__init__.py |
sha256=psbqTsm9iSNNBZK2w9-w5mUXN9K8-bP4VIdD8oU3anA
|
107 |
pyscfad/lib/_numpy_helper_opt.py |
sha256=kWuoDj8nZxtzPftPXRsqjoIhCacxU5l9Hvs9Az-9z4c
|
2479 |
pyscfad/lib/chkfile.py |
sha256=fitd0zwuddrvCNMXmxk268ebTv5fqMNJPKcF8TOygkU
|
1396 |
pyscfad/lib/diis.py |
sha256=6sbx8FoVd8fug7LDEFcnQHFuGQsBMTeCsxIne6ABZwg
|
2781 |
pyscfad/lib/jax_helper.py |
sha256=8sVor737a-MSZqZgTjqYIukmVcZ73HoVKidKE9ywQlo
|
3922 |
pyscfad/lib/linalg_helper.py |
sha256=3oiZmDZ6iAMDDh7HgUh_pNcreuUcy6YfoCdTurZFZdU
|
12860 |
pyscfad/lib/logger.py |
sha256=g8FqKeaAjZoNTIx7Ky6mHNpjKXxSWH0pa3c6k6ENUY8
|
961 |
pyscfad/lib/misc.py |
sha256=Hteg3eyOOrrPmsYM3hARB4ofSfGUVTmip49MAmF1MFY
|
426 |
pyscfad/lib/numpy_helper.py |
sha256=1oHC6aNaL3Rr3pb22uaR0R0eDcDycg2iI2_WqWERY5s
|
3410 |
pyscfad/lib/ops.py |
sha256=6GKrOgTmLTiEFDyDRc0DuycIpV5yK_N4E_AFpGY27YY
|
1555 |
pyscfad/lo/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
pyscfad/lo/boys.py |
sha256=QU4HfOiLSX39Rr8tvqIe2mX_9oc0HUA7_Q847BalpaE
|
6573 |
pyscfad/lo/iao.py |
sha256=Q8uej-SLG7aXX_eDhhoqiJuSZzeUN_rrrdg5UOvwDX8
|
3696 |
pyscfad/lo/orth.py |
sha256=LMej6Zm0pYFaL37ptABYmHDaXCnaMO-FT9v9qdfF0So
|
911 |
pyscfad/lo/pipek.py |
sha256=Gpb50rO8H9eRMKrXFubPDNYxRRSOzSMyQr_vLyxezeE
|
5370 |
pyscfad/mp/__init__.py |
sha256=xZgzUK-E1L5a8UvmHShIZvLrzvjp4Jrun4t0aQtrslk
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87 |
pyscfad/mp/dfmp2.py |
sha256=fv_Qbjsevj4vdd36veXiq-7Wmd-Mp_pYie32xd4X58Q
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7161 |
pyscfad/mp/mp2.py |
sha256=28beTkoIdW77Noz7bY1qcyfzGFsoqUv5ehmO-faeQns
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7399 |
pyscfad/pbc/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
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0 |
pyscfad/pbc/df/__init__.py |
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23 |
pyscfad/pbc/df/df_jk.py |
sha256=i8ipU4Lql3R_08ozGDo1H86gp3Y4MKH4eEiOMxQFioo
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1647 |
pyscfad/pbc/df/fft.py |
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7520 |
pyscfad/pbc/df/fft_jk.py |
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7167 |
pyscfad/pbc/dft/__init__.py |
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pyscfad/pbc/dft/krks.py |
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4365 |
pyscfad/pbc/dft/numint.py |
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13627 |
pyscfad/pbc/dft/rks.py |
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pyscfad/pbc/gto/__init__.py |
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pyscfad/pbc/gto/_pbcintor.py |
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4004 |
pyscfad/pbc/gto/cell.py |
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pyscfad/pbc/gto/eval_gto.py |
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pyscfad/pbc/lib/__init__.py |
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pyscfad/pbc/lib/kpts_helper.py |
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pyscfad/pbc/scf/__init__.py |
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pyscfad/pbc/scf/hf.py |
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4021 |
pyscfad/pbc/scf/khf.py |
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pyscfad/pbc/tools/__init__.py |
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pyscfad/pbc/tools/pbc.py |
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pyscfad/prop/__init__.py |
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pyscfad/prop/polarizability/__init__.py |
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pyscfad/prop/polarizability/rhf.py |
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pyscfad/prop/thermo/__init__.py |
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pyscfad/prop/thermo/vib.py |
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pyscfad/scf/__init__.py |
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pyscfad/scf/_vhf.py |
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pyscfad/scf/chkfile.py |
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pyscfad/scf/cphf.py |
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pyscfad/scf/diis.py |
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pyscfad/scf/hf.py |
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pyscfad/scf/rohf.py |
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pyscfad/scf/uhf.py |
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pyscfad/scipy/__init__.py |
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pyscfad/scipy/linalg.py |
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pyscfad/scipy/sparse/__init__.py |
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pyscfad/scipy/sparse/linalg.py |
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pyscfad/soscf/__init__.py |
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pyscfad/soscf/ciah.py |
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pyscfad/tdscf/__init__.py |
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pyscfad/tdscf/rhf.py |
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pyscfad/tools/__init__.py |
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pyscfad/tools/linear_solver.py |
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pyscfad/tools/timer.py |
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pyscfad/tools/util.py |
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pyscfad-0.1.4.dist-info/WHEEL |
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pyscfad-0.1.4.dist-info/top_level.txt |
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pyscfad-0.1.4.dist-info/RECORD |
— |
— |