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pyscf
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A
pyscf\dft\r_numint.py
44 8 -
A
pyscf\pbc\tdscf\test\test_kproxy_ks.py
11 1 -
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examples\pbc\27-multigrid.py
 1 -
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pyscf\pbc\tdscf\test\test_kproxy_supercell_ks.py
33 1 -
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pyscf\pbc\tdscf\test\test_krhf_slow_gamma.py
11 1 -
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examples\geomopt\14-with_solvent.py
 1 -
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pyscf\pbc\tdscf\test\test_proxy.py
8 1 -
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pyscf\dft\roks.py
5 8 -
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pyscf\pbc\tdscf\test\test_rhf_slow.py
8 1 -
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examples\pbc\29-eom_ccsd_Ta.py
 1 -
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pyscf\pbc\gto\pseudo\test\test_pp.py
23 2 -
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pyscf\pbc\gto\test\test_cell.py
23 6 -
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pyscf\pbc\gto\test\test_pbcintor.py
 1 -
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examples\nmr\crco6-nr-msc.py
 1 -
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pyscf\data\__init__.py
 1 -
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pyscf\pbc\gto\test\test_rcut.py
3 1 -
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pyscf\pbc\gw\__init__.py
 1 -
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pyscf\data\elements.py
43 11 -
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pyscf\pbc\gw\gw_slow.py
 1 -
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pyscf\pbc\gw\kgw_slow.py
14 2 -