Nwchemcmlutils | Anaconda.org

conda-forge / packages / nwchemcmlutils 3.0.1

0

CML processing within NWChem

copied from cf-staging / nwchemcmlutils

License: AGPL-3.0-only
Home: https://gitlab.developers.cam.ac.uk/ch/hunter/ssiptools/mepsgen/nwchemcmlutils
Development: https://gitlab.developers.cam.ac.uk/ch/hunter/ssiptools/mepsgen/nwchemcmlutils
Documentation: https://gitlab.developers.cam.ac.uk/ch/hunter/ssiptools/mepsgen/nwchemcmlutils
2061 total downloads
Last upload: 3 years and 7 months ago

Installers

noarch v3.0.1

conda install

To install this package run one of the following:
conda install conda-forge::nwchemcmlutils

Description

Module to create and run NWChem calculations to produce MEPS and CML descriptions for Surface Site Interaction Point (SSIP) description generation.

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