Skip to content
#

quasi-harmonic-approximation

Here are 6 public repositories matching this topic...

Language: All
Filter by language

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

  • Updated Jul 30, 2024
  • Python

Improve this page

Add a description, image, and links to the quasi-harmonic-approximation topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the quasi-harmonic-approximation topic, visit your repo's landing page and select "manage topics."

Learn more