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pyscf
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Issues
A
pyscf\lib\gto\nr_ecp_deriv.c
140 7 1
A
doc_legacy\source\nao\examples\submit_jobs.py
 1 1
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pyscf\lib\gto\test\test_gridao.py
28 4 -
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examples\tools\12-einsum.py
 2 -
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pyscf\lib\logger.py
37 6 -
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examples\local_orb\10-modify_valence_space_for_meta_lowdin.py
 1 -
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pyscf\lib\mcscf\fci_4pdm.c
71 4 -
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examples\x2c\03-x2c_ghf.py
 1 -
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pyscf\lib\mcscf\fci_contract_nosym.c
25 3 -
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examples\df\01-auxbasis.py
 1 -
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pyscf\lib\np_helper\np_helper.c
8 1 -
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pyscf\lib\np_helper\condense.c
24 3 -
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
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examples\ao2mo\01-outcore.py
 1 -
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examples\fci\33-rotate_wfn.py
 2 -
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examples\pbc\05-input_pp.py
 1 -
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pyscf\df\__init__.py
1 3 -