/tools/mpi4pyscf
mpi4pyscf
pyscf/mpi4pyscf
34 stars19 forksPythonAdded February 8, 2026
summary
mpi4pyscf is a plugin that enables MPI parallelism for the PySCF quantum chemistry software. It allows users to run molecular simulations more efficiently by leveraging parallel computing capabilities.
description
MPI parallelization for PySCF
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