basis-sets

There are 0 repository under basis-sets topic.

• lcmd-epfl / RHO-Decomposition

  Code to support the paper: A. Fabrizio, A. Grisafi, B. Meyer, M. Ceriotti, and C. Corminboeuf, “Electron density learning of non-covalent systems”, Chem. Sci. 10, 9492 (2019)

  basis-setsdecompositionelectron-density
  Language:Python 7

• pierre-24 / cp2k-basis

  A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.

  basis-setscp2kpseudopotentials
  Language:Python 3