Gaussian Mixture Powell-based fitting program

Published: 08-01-2017| Version 2 | DOI: 10.17632/hg6xvmb2py.2
Piero Procacci


********************************************************************** GAUSSN Copyright (C) 2015 Piero Procacci ********************************************************************** Powell based fit of work distributions with Gaussian mixtures for estimating free energy differences using Jarzynski's theorem. Program is based on the method described in the paper J. Chem. Phys. 142, 154117 (2015); See COPYING for terms and conditions of use and distribution of the program. ********************************************************************** src -> source directory with the gaussn1.0 sources. examples -> directory containing input examples and tests. etc --> directory containing the paper J. Chem. Phys. 142, 154117 (2015) in PDF format to compile the program cd into "src" dir and do $ make to run the tests cd into the "examples" dir and do $ make For more info see the README files inside "src" and "examples".


Steps to reproduce

See above