simpleMD_1d is a simple Molecular Dynamics (MD) code for one dimensional systems focusing on thermostats and methods to take into account nuclear quantum effects. More infos are (and/or will be) available in the documentation.
The code is still in beta for now so most features have not been fully tested yet!
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Type
maketo compile the program -
Edit the 'input.dat' file to your need (see documentation)
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Run the program using
./simpleMD_1d.exe
Copyright (C) Fabien Brieuc. This software is distributed under the terms of the GNU General Public License. See the file license.txt for a copy of the license or get it at the following address: http://www.gnu.org/copyleft/gpl.txt