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mpi4pyscf
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Issues
A
examples\04-parallel_ccsd.py
 4 -
A
mpi4pyscf\mp\test\test_mp2.py
 1 -
A
examples\04-parallel_mol_dft.py
 1 -
A
examples\01-parallel_krhf-diamond.py
 2 -
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.travis.yml
 6 -
A
examples\04-parallel_ccsd_t.py
 2 -
A
mpi4pyscf\cc\test\test_ccsd.py
1 1 -
A
mpi4pyscf\scf\uhf.py
2 1 -
A
tests\dft\test_ks.py
3 2 -
A
tests\scf\test_hf.py
3 1 -
A
setup.py
4 2 -
A
mpi4pyscf\pbc\df\aft_jk.py
6 1 -
A
mpi4pyscf\pbc\df\df_jk.py
10 1 -
A
mpi4pyscf\pbc\df\mdf_jk.py
10 1 -
A
mpi4pyscf\tools\test\test_alltoall.py
12 1 -
A
mpi4pyscf\pbc\gto\ecp.py
12 1 -
A
mpi4pyscf\lib\diis.py
16 1 -
A
mpi4pyscf\dft\uks.py
22 7 1
A
mpi4pyscf\pbc\df\mdf.py
27 4 2
A
mpi4pyscf\dft\rks.py
28 7 2