Published February 16, 2024 | Version v3.0.2
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sharc-md/sharc: SHARC Release 3.0.2

  • 1. University of Vienna

Description

This is release version 3.0.2 of our ab initio nonadiabatic molecular dynamics code SHARC (Surface Hopping including ARbitrary Couplings). It is developed in the González group at the University of Vienna and in the Truhlar group at the University of Minnesota and its purpose is the investigation of excited-state dynamics.

SHARC3.0.2 is a strict bugfix release. Check the individual files for details and the release notes of release 3.0.0 for new features.

Files

sharc-md/sharc-v3.0.2.zip

Files (30.6 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/sharc-md/sharc/tree/v3.0.2 (URL)