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MPI parallelization for PySCF
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sunqm Merge pull request #13 from sunqm/master
Fix issue #12. cell object deserialization error
Latest commit d5937b8 Mar 7, 2019
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cc Update mp, ccsd mpi driver Aug 30, 2018
dft Add uks Aug 31, 2018
examples Add uks Aug 31, 2018
lib CCSD restart May 16, 2018
mp Update mp, ccsd mpi driver Aug 30, 2018
pbc fix fft.get_pp function for small system Feb 22, 2019
scf Add uks Aug 31, 2018
tools Fix cell deserialization error due to pyscf updates. (issue #12) Mar 7, 2019
.gitignore Initialize MPI parallel branch for pyscf Jul 24, 2016
AUTHORS Initialize MPI parallel branch for pyscf Jul 24, 2016
LICENSE Initial commit Jul 24, 2016
README Initialize MPI parallel branch for pyscf Jul 24, 2016
__init__.py Update version check Jan 6, 2019

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MPI parallelization for PySCF
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