grimme-lab / CPCM-X

Extended conductor-like polarizable continuum solvation model
GNU Lesser General Public License v3.0
18 stars 7 forks source link

Adding a basic C-API. #28

Closed MtoLStoN closed 1 year ago

MtoLStoN commented 1 year ago

Adds a basic C-API for interfacing CPCM-X with C based QC programs.