GitHub - raymondlanger/tamkin: TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

raymondlanger / tamkin Public

forked from molmod/tamkin

Notifications You must be signed in to change notification settings
Fork 0
Star 0

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

GPL-3.0 license

0 stars 15 forks Branches Tags Activity

Star

Notifications

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 474 Commits
doc		doc
examples		examples
tamkin		tamkin
test		test
COPYING		COPYING
HEADER		HEADER
README		README
cleancode.sh		cleancode.sh
cleanfiles.sh		cleanfiles.sh
setup.py		setup.py
updateheaders.py		updateheaders.py
updatesite.sh		updatesite.sh

Repository files navigation

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. Multiple methods are implemented to
perform a normal mode analysis (NMA). The frequencies from the NMA can be used
to construct a molecular partition function to derive thermodynamic and kinetic
parameters.

More information about TAMkin can be found on the CMM Software website:
http://molmod.ugent.be/software/

TAMkin is distributed as open source software under the conditions of the GPL
license version 3.  Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/