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pyscf
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Issues
A
pyscf\pbc\dft\test\test_uks.py
3 3 -
A
pyscf\pbc\eph\eph_fd.py
25 4 -
A
examples\fci\14-density_matrix.py
 1 -
A
examples\mp\10-dfmp2.py
 1 -
A
pyscf\pbc\geomopt\__init__.py
2 1 -
A
pyscf\pbc\grad\__init__.py
 1 -
A
pyscf\cc\uccsd_t_lambda.py
5 3 -
A
pyscf\pbc\grad\krhf.py
72 6 -
A
pyscf\pbc\grad\krks.py
23 4 -
A
examples\mp\11-dfmp2-density.py
 1 -
A
pyscf\cc\uccsd_t_rdm.py
12 4 -
A
pyscf\pbc\grad\kuhf.py
17 2 -
A
pyscf\pbc\grad\kuks.py
19 4 -
A
pyscf\cc\uccsd_t_slow.py
3 3 -
A
pyscf\pbc\grad\test\test_krhf.py
2 2 -
A
examples\1-advanced\002-input_script.py
 2 -
A
examples\agf2\10-dyson_orbitals.py
 1 -
A
examples\fci\15-FCI_hamiltonian.py
 1 -
A
examples\mp\12-dfump2-natorbs.py
 1 -
A
pyscf\pbc\grad\test\test_krks.py
4 1 -