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pyscf
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Issues
A
pyscf\grad\test\test_casscf.py
15 10 -
A
pyscf\grad\test\test_h2o.py
15 3 -
A
pyscf\gto\eval_gto.py
15 5 -
A
pyscf\mcscf\umc_ao2mo.py
15 5 -
A
pyscf\lib\chkfile.py
15 6 -
A
pyscf\pbc\scf\ghf.py
15 6 -
A
pyscf\adc\__init__.py
15 6 -
A
pyscf\lib\test\test_scipy_helper.py
15 1 -
A
pyscf\pbc\tdscf\test\test_kproxy_supercell_hf.py
15 1 -
A
pyscf\lib\vhf\test\test_nr_direct.py
15 1 -
A
pyscf\mcscf\test\test_casci.py
15 4 -
A
pyscf\pbc\cc\test\test_eom_kuccsd_diag.py
15 3 -
A
pyscf\pbc\cc\kuccsd_rdm.py
16 3 -
A
pyscf\df\hessian\rks.py
16 5 -
A
pyscf\pbc\tdscf\kproxy.py
16 2 -
A
pyscf\df\hessian\uks.py
16 4 -
A
pyscf\grad\uhf.py
16 6 -
A
pyscf\mp\test\test_mp2.py
16 5 -
A
pyscf\pbc\gto\eval_gto.py
16 5 -
A
pyscf\lib\pbc\test\test_pbc_fill_int.py
16 1 -