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pyscf
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Issues
A
pyscf\lib\dft\xcfun_itrf.c
23 4 1
A
examples\local_orb\03-split_localization.py
 1 -
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pyscf\lib\exceptions.py
 2 -
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examples\local_orb\04-ibo_benzene_cubegen.py
 4 -
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pyscf\lib\gto\deriv1.c
101 6 2
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.github\workflows\ci.yml
 10 -
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pyscf\lib\gto\fastexp.c
1 2 -
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examples\tddft\31-energy_transfer_coupling_matrix.py
14 3 -
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pyscf\lib\gto\fill_int2c.c
12 3 -
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examples\local_orb\05-ibo_periodic_diamond_cubegen.py
 5 -
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pyscf\lib\gto\ft_ao.h
0 5 -
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pyscf\lib\gto\ft_ao.c
236 8 2
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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 -