Gaussian Mixture Powell-based fitting program
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下载链接：
https://data.mendeley.com/datasets/hg6xvmb2py
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资源简介：
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GAUSSN Copyright (C) 2015 Piero Procacci
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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); http://dx.doi.org/10.1063/1.4918558. See COPYING for
terms and conditions of use and distribution of the program.
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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".
创建时间：
2017-01-08
