alesgenova/pbcpy

Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy

语言：Python · GitHub 星标：19 · Fork：1

话题：chemistry · grids · material-science · periodic-boundary-conditions · physics · python · quantum-espresso · science

在 GitHub 上查看原仓库