Python Potential Optimization Software Package
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Python Potential Optimization Software Packages (pypospack)

This package as several directory.


This is the software package you have been looking for. pyPOSpack has several requirements for installation.

test -> test_acceptance_serial -> test_acceptance_serial_lmps -> test_acceptance_mpi -> test_acceptance_mpi_vasp -> test_acceptance_mpi_lammps -> test_unit

doc. this directory contains sphinx documentation on the package.

examples. this is a collection of recipes on how to do things