modified on 20 September 2017 at 11:15 ••• 12,421 views

Software supporting NWChem

From NWChem

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* '''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/  
* '''CULGI''' https://culgi.com/article/culgi-90-embedded-molecular-database
* '''CULGI''' https://culgi.com/article/culgi-90-embedded-molecular-database
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*  '''KiSThelP''' a program to predict thermodynamic properties and rate constants from quantum chemistry results http://kisthelp.univ-reims.fr/
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*  '''KiSThelP''' predicts thermodynamic properties and rate constants from NWChem results http://kisthelp.univ-reims.fr/

Revision as of 11:50, 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