qtaim

There are 4 repositories 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.

    Language:C++10303

  • jeffrichardchemistry/scripyt-MWFN

    Script to scrap text of multiwfn output

    Language:Python130

  • kmlefran/subproptools

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

    Language:Python0200

  • srk/compchemtools

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

    Language:Python0201