modified on 20 September 2017 at 10:15 ••• 18,918 views

Software supporting NWChem

From NWChem

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User interface software supporting NWChem
* '''ECCE''' http://ecce.emsl.pnl.gov/
* '''ECCE''' http://ecce.emsl.pnl.gov/
* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
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* '''MoCalc2012''' http://mocalc2012.sourceforge.net/
* '''MoCalc2012''' http://mocalc2012.sourceforge.net/
* '''Chemissian''' http://www.chemissian.com/
* '''Chemissian''' http://www.chemissian.com/
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Codes performing post-processing on NWChem wavefunctions
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* '''Fiesta''' http://perso.neel.cnrs.fr/xavier.blase/fiesta/
* '''JANPA''' performs Natural Population Analysis http://janpa.sf.net
* '''JANPA''' performs Natural Population Analysis http://janpa.sf.net
* '''CamCASP''' Cambridge package for Calculation of Anisotropic Site Properties http://www-stone.ch.cam.ac.uk/programs/camcasp.html
* '''CamCASP''' Cambridge package for Calculation of Anisotropic Site Properties http://www-stone.ch.cam.ac.uk/programs/camcasp.html
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* VESTA http://jp-minerals.org/vesta/en/  
* VESTA http://jp-minerals.org/vesta/en/  
* Jamberoo http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/index.html
* Jamberoo http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/index.html
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Code that might read NWChem wavefunctions
 
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* Fiesta http://perso.neel.cnrs.fr/xavier.blase/fiesta/
 

Revision as of 17:26, 16 November 2016

User interface software supporting NWChem

Codes performing post-processing on NWChem wavefunctions

A variety of programs can display cube files from charge density and ESP and/or use Molden files generated by NWChem