qtaim

There are 0 repository under qtaim topic.

• jmsolano / denstoolkit

  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also includes programs to analyze the topology of ρ. More information can be found in https://sites.google.com/site/jmsolanoalt/home/software/denstoolkit.

  qtaimelectrondensitynciquantum-chemistry
  Language:C++ 10

• jeffrichardchemistry / scripyt-MWFN

  Script to scrap text of multiwfn output

  cheminformaticsqtaimquantum-chemistry
  Language:Python 1

• kmlefran / subproptools

  Tools developed by KLG - parsing of .sum files in qtaimExtract, reorientation in subreor

  functional-groupsqtaim
  Language:Python 0

• srk / compchemtools

  Utilities for manipulation/translation of input/output formats of quantum-mechanics based electronic structure codes

  xyzcomputational-chemistrycomputational-sciencemolecular-simulationmolecular-structuresg09qtaimatoms-in-moleculesenergy-surfaceircpython3pythonbash
  Language:Python 0