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pyscf
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Issues
A
pyscf\pbc\testall.sh
 1 1
A
pyscf\pbc\tools\__init__.py
 1 -
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pyscf\pbc\tools\k2gamma.py
14 2 -
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pyscf\pbc\tools\lattice.py
54 3 2
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pyscf\pbc\tools\make_test_cell.py
7 3 -
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pyscf\pbc\tools\pbc.py
98 5 1
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pyscf\pbc\tools\pyscf_ase.py
10 3 -
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pyscf\pbc\tools\pywannier90.py
219 7 2
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pyscf\pbc\tools\test\test_k2gamma.py
9 2 -
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pyscf\pbc\tools\test\test_pbc.py
10 3 -
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pyscf\pbc\tools\tril.py
11 3 -
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pyscf\pbc\x2c\__init__.py
 1 -
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pyscf\pbc\x2c\sfx2c1e.py
37 4 -
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pyscf\pbc\x2c\test\test_x2c.py
5 3 -
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pyscf\post_scf.py
 3 -
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pyscf\qmmm\__init__.py
 2 -
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pyscf\qmmm\itrf.py
12 14 -
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pyscf\qmmm\mm_mole.py
11 1 -
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pyscf\qmmm\test\test_itrf.py
5 3 -
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pyscf\scf\__init__.py
36 10 -