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Issues
A
examples\grad\01-scf_grad.py
 2 -
A
pyscf\pbc\x2c\__init__.py
 1 -
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pyscf\dft\test\test_r_numint.py
4 3 -
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pyscf\pbc\x2c\test\test_x2c.py
5 3 -
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examples\pbc\30-overlap_periodic_cell.py
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pyscf\qmmm\__init__.py
 2 -
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pyscf\pbc\gto\test\test_pbcintor.py
 1 -
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pyscf\qmmm\mm_mole.py
11 1 -
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examples\1-advanced\031-density.py
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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
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pyscf\pbc\gw\kgw_slow.py
14 2 -
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examples\fci\32-wfn_overlap.py
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examples\pbc\00-input_cell.py
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pyscf\data\gyro.py
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pyscf\pbc\gw\kgw_slow_supercell.py
18 1 -