GitHub - molmod/QuickFF: A Python code to quickly derive ab initio parameterized force fields.

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A Python code to quickly derive ab initio parameterized force fields.

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Name		Name	Last commit message	Last commit date
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doc		doc
quickff		quickff
scripts		scripts
.gitignore		.gitignore
HEADER		HEADER
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README		README
cleancode.sh		cleancode.sh
cleanfiles.sh		cleanfiles.sh
setup.py		setup.py
updatesite.sh		updatesite.sh

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QuickFF is a pythonic code to easily derive fully flexible force fields from ab
initio training data. The intended audience is very broad, one does not require
much force field experience to generate reliable force fields for molecular
systems.

More information including an installation guide and user manual can be found at
http://molmod.github.io/QuickFF/

QuickFF is distributed as open source software under the conditions of the GPL
license version 3. Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/