Published April 29, 2021
| Version v2.1.1
Software
Open
sharc-md/sharc: SHARC Release 2.1.1
Description
This is release version 2.1.1 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 its purpose is the investigation of excited-state dynamics.
What's new in SHARC2.1.1? The dynamics program sharc.x now contains: – RATTLE algorithm for constraint bond lengths – Keyword for restart control
Files
sharc-md/sharc-v2.1.1.zip
Files
(26.7 MB)
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md5:3657d9d5d2554299e1794522d0bff113
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Additional details
Related works
- Is supplement to
- https://github.com/sharc-md/sharc/tree/v2.1.1 (URL)