modified on 20 September 2017 at 11:15 ••• 12,670 views

Software supporting NWChem

From NWChem

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* '''ECCE''' http://ecce.emsl.pnl.gov/
* '''ECCE''' http://ecce.emsl.pnl.gov/
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* '''EMSL Arrows''' https://arrows.pnnl.gov/
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* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
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* '''Avogadro''' reads cube files, generate nwchem input files, analyzes output files (frequencies) http://avogadro.cc
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* '''Avogadro''' reads cube files, generates NWChem input files, analyzes output files (including frequencies) http://avogadro.cc
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* '''WebMO''' https://www.webmo.net/
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* '''WebMO''' World Wide Web-based interface to computational chemistry packages https://www.webmo.net/
*''' Jmol'''  analyzes output and cube files http://wiki.jmol.org/index.php/NWChem
*''' Jmol'''  analyzes output and cube files http://wiki.jmol.org/index.php/NWChem
* '''Scienomics MAPS'''  platform has a NWChem Plugin that will allow users to easily create NWChem input files.  Since MAPS platform also has complex builders available, users can create complex models and then submit NWChem simulations to HPCs.  MAPS also allows easy analysis of NWChem output files http://www.scienomics.com/software/  
* '''Scienomics MAPS'''  platform has a NWChem Plugin that will allow users to easily create NWChem input files.  Since MAPS platform also has complex builders available, users can create complex models and then submit NWChem simulations to HPCs.  MAPS also allows easy analysis of NWChem output files http://www.scienomics.com/software/  
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* '''CULGI''' https://culgi.com/article/culgi-90-embedded-molecular-database
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* '''CULGI''' computational platform https://culgi.com/article/culgi-90-embedded-molecular-database
*  '''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  

Revision as of 18:22, 16 November 2016

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

Code that might read NWChem wavefunctions