modified on 20 September 2017 at 10:15 ••• 17,762 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.  Please visit http://www.scienomics.com/software/ for more information
* '''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.  Please visit http://www.scienomics.com/software/ for more information
* '''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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* '''Chemcraft''' http://www.chemcraftprog.com  
* '''Chemcraft''' http://www.chemcraftprog.com  
* '''ASE''' https://wiki.fysik.dtu.dk/ase
* '''ASE''' https://wiki.fysik.dtu.dk/ase

Revision as of 10:48, 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