modified on 20 September 2017 at 11:15 ••• 12,780 views

Software supporting NWChem

From NWChem

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(Programs that can display cube files from charge density and ESP and/or use Molden files)
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* '''ChemShell''' is a computational chemistry environment for standard quantum chemical or force field calculations http://community.hartree.stfc.ac.uk/wiki/site/admin/chemshell.html
* '''ChemShell''' is a computational chemistry environment for standard quantum chemical or force field calculations http://community.hartree.stfc.ac.uk/wiki/site/admin/chemshell.html
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== Programs that can display cube files from [[Release66:DPLOT#GAUSSIAN_--_Gaussian_Cube_format | charge density ]] and [[Release66:Properties#Gaussian_Cube_Files | ESP]] and/or use [[Release66:Properties#Moldenfile|Molden]] files ==
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== Programs that can display cube and/or Molden files ==
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The following programs can display cube files from [[Release66:DPLOT#GAUSSIAN_--_Gaussian_Cube_format | charge density ]] and [[Release66:Properties#Gaussian_Cube_Files | ESP]] and/or use [[Release66:Properties#Moldenfile|Molden]] files
* '''gOpenMol''' http://www.csc.fi/~laaksone/gopenmol/gopenmol.html
* '''gOpenMol''' http://www.csc.fi/~laaksone/gopenmol/gopenmol.html
* '''Molden''' http://www.cmbi.ru.nl/molden/howtoget.html  
* '''Molden''' http://www.cmbi.ru.nl/molden/howtoget.html  

Revision as of 11:49, 17 November 2016

While we have done our best to compile an exhaustive list of software using NWChem, we might have missed packages and/or incorrectly described some software features. Please use this link to provide feedback on this page content.

Contents

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 and/or Molden files

The following programs can display cube files from charge density and ESP and/or use Molden files

Programs prost-processing AIM files

NWChem can generate AIM wavefunction files (.wfn/.wfx) can be post-processed with a variety of codes, e.g.