From 90296b76e38eb8c9fe28101b33e0b2eb8b99c57f Mon Sep 17 00:00:00 2001 From: charlie sievers Date: Tue, 10 Sep 2019 17:11:49 -0700 Subject: [PATCH] Added a readme to the md results folder --- examples/gjf/molecular_dynamics_results/README.md | 5 +++++ 1 file changed, 5 insertions(+) create mode 100644 examples/gjf/molecular_dynamics_results/README.md diff --git a/examples/gjf/molecular_dynamics_results/README.md b/examples/gjf/molecular_dynamics_results/README.md new file mode 100644 index 0000000000..cd3fe81b53 --- /dev/null +++ b/examples/gjf/molecular_dynamics_results/README.md @@ -0,0 +1,5 @@ +# LAMMPS GJF-2GJ THERMOSTAT EXAMPLE + +## GJF-2GJ THERMOSTAT + +This directory contain a series of graphs, which contain the results from numermous molecular dynamics simulations. All simulations are run in the NVT ensemble. Two systems are reported, guaiacol and argon. The damping parameter and the timestep are varied. Also the temperature is varied for argon. GJF U is the half-step velocity and GJF V is the onsite velocity. GJF U and GJF V represent exactly the same configurational statistics.