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Merge branch 'merge-pull-153' into lammps-icms

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Aug 23 2016, 19:24.

Description

Merge branch 'merge-pull-153' into lammps-icms

Submitted by Steven E. Strong via github
Contributing authors: Steven E. Strong and Joel D. Eaves Joel.Eaves@Colorado.edu

This branch implements Gaussian dynamics (GD), which is a method to do
nonequilibrium molecular dynamics simulations of steady-state flow. See
http://dx.doi.org/10.1021/acs.jpclett.6b00748. It is simple to implement
and derives rigorously from Gauss's principle of least constraint.

(cherry picked from commit 75929ee01b7c34a15e3e2ed3e8e0cbff85fe50dd)

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Aug 23 2016, 21:33
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPS55fe1f6b29cc: fixed integer division problem in python code snippet
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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS1ab3891caf0e: Merge branch 'merge-pull-153' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Aug 23 2016, 21:33