modified on 20 September 2017 at 10:15 ••• 17,970 views

Software supporting NWChem

From NWChem

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(User interface software)
(User interface software)
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* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
* '''Avogadro''' reads cube files, generates NWChem input files, analyzes output files (including frequencies) http://avogadro.cc
* '''Avogadro''' reads cube files, generates NWChem input files, analyzes output files (including frequencies) http://avogadro.cc
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* '''WebMO''' World Wide Web-based interface to computational chemistry packages https://www.webmo.net/
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* '''WebMO''' World Wide Web-based interface to computational chemistry packages https://www.webmo.net/ <ref>The WebMo interface might not be compatible with NWChem 6.0 and later versions</ref>
*''' 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/  

Revision as of 17:45, 16 November 2016

User interface software

  1. No longer been actively developed
  2. The WebMo interface might not be compatible with NWChem 6.0 and later versions

Codes performing post-processing on NWChem wavefunctions

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