modified on 20 September 2017 at 11:15 ••• 12,801 views

Software supporting NWChem

From NWChem

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(Codes performing post-processing on NWChem wavefunctions)
(User interface software)
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== User interface software ==
== User interface software ==
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* '''ECCE'''  Extensible Computational Chemistry Environment http://ecce.emsl.pnl.gov/ <ref>No longer actively developed</ref>
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* '''ECCE'''  Extensible Computational Chemistry Environment http://ecce.emsl.pnl.gov/ <ref>No longer actively developed </ref>
* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
* '''Avogadro''' reads cube files, generates NWChem input files, analyzes output files (including frequencies) http://avogadro.cc
* '''Avogadro''' reads cube files, generates NWChem input files, analyzes output files (including frequencies) http://avogadro.cc
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*  '''KiSThelP'''  predicts thermodynamic properties and rate constants from NWChem results http://kisthelp.univ-reims.fr/
*  '''KiSThelP'''  predicts thermodynamic properties and rate constants from NWChem results http://kisthelp.univ-reims.fr/
* '''Chemcraft''' http://www.chemcraftprog.com  
* '''Chemcraft''' http://www.chemcraftprog.com  
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* '''ASE''' https://wiki.fysik.dtu.dk/ase
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* '''ASE''' Atomic Simulation Environment https://wiki.fysik.dtu.dk/ase
* '''Ascalaph''' http://www.biomolecular-modeling.com/Ascalaph/index.html
* '''Ascalaph''' http://www.biomolecular-modeling.com/Ascalaph/index.html
* '''Molecular Design Toolkit''' http://bionano.autodesk.com/MolecularDesignToolkit/
* '''Molecular Design Toolkit''' http://bionano.autodesk.com/MolecularDesignToolkit/

Revision as of 18:39, 16 November 2016

User interface software

Codes performing post-processing on NWChem wavefunctions

Programs that can display cube files from charge density and ESP and/or use Molden files


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