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mpi4pyscf
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A
examples\32-graphene.py
 1 -
A
mpi4pyscf\mp\test\test_mp2.py
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examples\04-parallel_ccsd.py
 4 -
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mpi4pyscf\pbc\df\__init__.py
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mpi4pyscf\cc\__init__.py
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mpi4pyscf\cc\ccsd_t.py
29 2 -
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mpi4pyscf\pbc\df\aft_ao2mo.py
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examples\04-parallel_mol_dft.py
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mpi4pyscf\pbc\df\df_jk.py
10 1 -
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mpi4pyscf\tools\mpi.py
159 7 -
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mpi4pyscf\dft\__init__.py
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mpi4pyscf\scf\__init__.py
 1 -
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mpi4pyscf\pbc\df\mdf_ao2mo.py
 1 -
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mpi4pyscf\lib\__init__.py
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tests\scf\test_hf.py
3 1 -
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tests\runtests.sh
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mpi4pyscf\pbc\gto\ecp.py
12 1 -
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examples\01-parallel_krhf-diamond.py
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examples\04-parallel_ccsd_t.py
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mpi4pyscf\pbc\df\aft_jk.py
6 1 -