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pyscf
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Issues
A
pyscf\scf\test\test_ghf.py
22 9 -
A
pyscf\scf\test\test_h2o.py
25 6 -
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pyscf\scf\test\test_h2o_vdz.py
17 1 -
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pyscf\scf\test\test_he.py
4 1 -
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pyscf\scf\test\test_jk.py
35 2 -
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pyscf\scf\test\test_rhf.py
60 22 -
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pyscf\scf\test\test_stability.py
22 2 -
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pyscf\scf\test\test_uhf.py
37 10 -
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pyscf\scf\test\test_vhf.py
8 1 -
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pyscf\scf\ucphf.py
8 3 -
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pyscf\scf\uhf.py
168 22 1
A
pyscf\scf\uhf_symm.py
82 10 1
A
pyscf\sgx\__init__.py
 1 -
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pyscf\sgx\sgx.py
31 20 -
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pyscf\sgx\sgx_jk.py
37 17 1
A
pyscf\sgx\test\test_sgx.py
1 1 -
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pyscf\sgx\test\test_sgx_jk.py
8 6 -
A
pyscf\solvent\__init__.py
18 8 -
A
pyscf\solvent\_attach_solvent.py
18 6 -
A
pyscf\solvent\_ddcosmo_tdscf_grad.py
71 6 -