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A
pyscf\pbc\df\test\test_mdf_jk.py
13 8 -
A
examples\fci\10-spin.py
 2 -
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pyscf\pbc\df\test\test_rsdf.py
6 1 -
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pyscf\cc\test\test_eom_rccsd.py
53 3 -
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pyscf\pbc\df\test\test_rsdf_jk.py
11 1 -
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examples\mcscf\51-o2_triplet_by_various_fci.py
 1 -
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pyscf\pbc\dft\__init__.py
6 3 -
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pyscf\cc\test\test_gccsd.py
13 5 -
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.github\workflows\run_tests.sh
 4 -
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examples\mcscf\61-rcas_vs_ucas\o2-scan.py
4 1 -
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pyscf\cc\test\test_h2o.py
10 3 -
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pyscf\cc\test\test_rccsd.py
20 7 -
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examples\fci\12-multiple_roots.py
 3 -
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examples\mcscf\70-casscf_optimize_scheduler.py
7 1 -
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pyscf\cc\test\test_rccsd_lambda.py
5 3 -
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pyscf\cc\test\test_uccsd.py
22 9 -
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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\cc\test\test_uccsd_t.py
3 2 -
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examples\agf2\09-mpi_dfragf2.py
 1 -