Projects in Awesome Lists tagged with cpmd

A curated list of projects in awesome lists tagged with cpmd .

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https://github.com/elcorto/pwtools

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.

ase cp2k cpmd kernel-regression kernel-ridge-regression lammps molecular-dynamics multivariate-regression parameter-sweep polynomial-regression postprocessing preprocessing python quantum-espresso quasi-harmonic-approximation radial-basis-function radial-distribution-function radial-pair-correlation-function sqlite

Last synced: 14 Oct 2025

https://github.com/sgsaenger/vipster

Visualization and editing of periodic molecular structure files.

atom cpmd cpp17 emscripten gui lammps molecule pwscf python quantum-espresso visualization xyz

Last synced: 10 Apr 2025

https://github.com/downgoon/cpmd

copy or move markdown files (supporting wildcard characters) to the destination directory **with their attached images** usually located on sub dir named 'assets' or 'images'.

copy-markdown-file-and-images cpmd markdown-images

Last synced: 19 Jan 2026