ruixingw / parmhess

Analytical Hessian Fitting schemes for parameterization.
http://parmhess.readthedocs.io.
2 stars 1 forks source link
computational-chemistry force-field parameterization

Documentation is hosted at http://parmhess.readthedocs.io.

This master branch is not up to date. Please head to https://github.com/ruixingw/parmhess/releases.

Please Fork or Star this repo so that we can keep a record. Thank you.