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The official AiiDA plugin for NWChem

Project description


AiiDA-NWChem is the AiiDA plugin for the NWChem code.

The plugin provides support for the following calculation tasks:

  • energy
  • optimize
  • freq

...using these theory types:

  • scf
  • dft
  • NWPW Band
  • TCE

Compatibility matrix

The matrix below shows the versions of aiida-core and Python with which the plugin is compatible for various plugin version ranges:

Plugin AiiDA Python
v3.0 < v4.0 Compatibility for v3.0 PyPI pyversions
v2.0 < v3.0 Compatibility for v2.0 PyPI pyversions


The documentation for this package can be found on Read the Docs at


This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation.


Project details

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