modified on 28 September 2018 at 08:49 ••• 93,651 views

Software supporting NWChem

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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.


User interface software

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

Codes using NWChem wavefunctions and/or post-processing NWChem output files

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 post-processing AIM files

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