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Software supporting NWChem

From NWChem

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(User interface software)
(User interface software)
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* '''ECCE'''  Extensible Computational Chemistry Environment http://ecce.emsl.pnl.gov/ <ref>No longer been actively developed</ref>
* '''ECCE'''  Extensible Computational Chemistry Environment http://ecce.emsl.pnl.gov/ <ref>No longer been actively developed</ref>
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* '''EMSL Arrows''' Evolution of Chemical and Materials Computation https://arrows.pnnl.gov/
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* '''EMSL Arrows''' Evolution of Chemical and Materials Computation http://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
* '''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>
* '''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/  
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* '''CULGI''' computational platform https://culgi.com/article/culgi-90-embedded-molecular-database
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* '''CULGI''' computational platform http://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  
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* '''ASE''' Atomic Simulation Environment https://wiki.fysik.dtu.dk/ase
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* '''ASE''' Atomic Simulation Environment http://wiki.fysik.dtu.dk/ase
* '''Ascalaph''' http://www.biomolecular-modeling.com/Ascalaph/index.html
* '''Ascalaph''' http://www.biomolecular-modeling.com/Ascalaph/index.html
* '''Molecular Design Toolkit''' http://bionano.autodesk.com/MolecularDesignToolkit/
* '''Molecular Design Toolkit''' http://bionano.autodesk.com/MolecularDesignToolkit/

Revision as of 17:47, 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