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TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

copied from cf-staging / tamkin

Installers

Info: This package contains files in non-standard labels.
  • noarch v1.2.6

conda install

To install this package run one of the following:
conda install conda-forge::tamkin
conda install conda-forge/label/cf202003::tamkin

Description

TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry and reaction kinetics. It uses a Hessian computation from a standard computational chemistry program as its input. CHARMM, CP2K, CPMD, GAMESS, GAUSSIAN, QCHEM and VASP are supported.


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