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SHARC (sharc-md)

SHARC

sharc-md

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Surface Hopping including Arbitrary Couplings developed by the González group

Location:Vienna

Home Page:www.sharc-md.org

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SHARC's repositories

sharc

The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

Language:PythonLicense:GPL-3.0Stargazers:59Issues:15Issues:100

sharc_cobramm_interface

Files to run QM/MM trajectory surface hopping interfacing the SHARC and COBRAMM program package

Language:PythonLicense:GPL-3.0Stargazers:3Issues:1Issues:0