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pyscf
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Issues
A
pyscf\cc\test\test_uccsd.py
22 9 -
A
pyscf\pbc\dft\test\test_gen_grid.py
6 2 -
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pyscf\pbc\dft\test\test_krks.py
8 5 -
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examples\misc\02-chkfile.py
 1 -
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pyscf\cc\test\test_uccsd_lambda.py
3 3 -
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pyscf\pbc\dft\test\test_krkspu.py
1 1 -
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pyscf\pbc\dft\test\test_ks_noimport.py
2 1 -
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pyscf\cc\test\test_uccsd_t.py
3 2 -
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pyscf\pbc\dft\test\test_kuks.py
3 3 -
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pyscf\pbc\dft\test\test_kukspu.py
1 1 -
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examples\agf2\09-mpi_dfragf2.py
 1 -
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examples\fci\13-wfn_symmetry.py
 1 -
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examples\misc\30-macro_call_in_background.py
2 1 -
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pyscf\cc\uccsd.py
134 22 -
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pyscf\pbc\dft\test\test_multigrid.py
28 2 -
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pyscf\pbc\dft\test\test_numint.py
17 4 -
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pyscf\cc\uccsd_lambda.py
20 5 -
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pyscf\pbc\dft\test\test_rks.py
8 6 -
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examples\mp\00-simple_mp2.py
 1 -
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pyscf\pbc\dft\test\test_sampling.py
4 1 -