Metadata-Version: 2.1
Name: forcebalance
Version: 1.9.4
Summary: Automated force field optimization.
Home-page: https://simtk.org/home/forcebalance
Download-URL: https://simtk.org/home/forcebalance
Author: Lee-Ping Wang
Author-email: leeping@ucdavis.edu
License: BSD 2.0
Platform: Linux
License-File: LICENSE



    ForceBalance (https://simtk.org/home/forcebalance) is a library
    that provides tools for automated optimization of force fields and
    empirical potentials.

    The philosophy of this program is to present force field
    optimization in a unified and easily extensible framework.  Since
    there are many different ways in theoretical chemistry to compute
    the potential energy of a collection of atoms, and similarly many
    types of reference data to fit these potentials to, we do our best
    to provide an infrastructure which allows a user or a contributor
    to fit any type of potential to any type of reference data.

    
