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grimme-lab / CPCM-X

Extended conductor-like polarizable continuum solvation model
GNU Lesser General Public License v3.0
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Sacdevel #2

Closed MtoLStoN closed 3 years ago

MtoLStoN commented 3 years ago

Program can now calculate splitted Sigma Profile according to the Hydrogen Bonding Group of the Atoms. Restructured Program for better understanding.