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Software supporting NWChem

From NWChem

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User interface software supporting NWChem
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== User interface software supporting NWChem ==
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* '''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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* '''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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== Codes performing post-processing on NWChem wavefunctions ==
* '''Fiesta''' http://perso.neel.cnrs.fr/xavier.blase/fiesta/
* '''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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A variety of programs can display cube files from charge density and ESP and/or use Molden files generated by NWChem
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== Programs that can display cube files from charge density and ESP and/or use Molden files ==
* gOpenMol http://www.csc.fi/~laaksone/gopenmol/gopenmol.html
* gOpenMol http://www.csc.fi/~laaksone/gopenmol/gopenmol.html
* Molden http://www.cmbi.ru.nl/molden/howtoget.html  
* Molden http://www.cmbi.ru.nl/molden/howtoget.html  

Revision as of 17:28, 16 November 2016

User interface software supporting NWChem

Codes performing post-processing on NWChem wavefunctions

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