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