Skip to content

Repository of molecular potential energy surfaces by C. M. R. Rocha

Notifications You must be signed in to change notification settings

Cmurilochem/PES_REPOSITORY

Repository files navigation

Potential energy surfaces repository

Repository of molecular potential energy surfaces by C. M. R. Rocha.

The FORTRAN code of the PES, test main program, compilation instructions and the original paper are all available inside each directory. They are separated by molecular species, the type of PES (DMBE, CHIPR, QFF, ...) and electronic state.

Author: Carlos M. R. Rocha ([email protected])

About

Repository of molecular potential energy surfaces by C. M. R. Rocha

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages