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pyscf
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Issues
A
pyscf\fci\test\test_addons.py
25 5 2
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.github\workflows\lint.yml
 1 -
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pyscf\fci\test\test_direct_nosym.py
4 2 2
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examples\qmmm\03-ccsd.py
 2 1
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pyscf\fci\test\test_selected_ci.py
105 5 2
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examples\gto\00-input_mole.py
 2 -
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pyscf\fci\test\test_spin0_symm.py
3 3 2
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examples\qmmm\05-mp2.py
 1 1
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pyscf\fci\test\test_spin1_symm.py
5 5 4
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examples\cc\10-ao_direct_ccsd.py
 1 1
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pyscf\grad\mp2.py
24 10 3
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pyscf\grad\lagrange.py
23 7 2
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pyscf\grad\casscf.py
18 10 2
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pyscf\grad\__init__.py
 5 -
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pyscf\geomopt\berny_solver.py
29 15 1
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pyscf\fci\test\test_uhf.py
10 2 2
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conda\build.sh
 3 -
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examples\fci\33-rotate_wfn.py
 2 1
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examples\pbc\05-input_pp.py
 1 1
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pyscf\df\__init__.py
1 3 -