- Oct 10, 2016
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Steven Strong authored
(cherry picked from commit 8d9737b04df5158d512b7708023af0b154899fa9)
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- Aug 27, 2016
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Steve Plimpton authored
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sjplimp authored
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15508 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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Axel Kohlmeyer authored
- remove unused or unneeded class members - make the code compatible with per-atom masses - test for and abend in case of an invalid group mass (cherry picked from commit e017b3389839ff45bc4b5c24c2c7eab1522ff528)
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- Aug 23, 2016
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Axel Kohlmeyer authored
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)
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