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Updated MD results readme

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charlie sievers 2019-09-10 17:14:44 -07:00
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examples/gjf/molecular_dynamics_results/README.md
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# LAMMPS GJF-2GJ THERMOSTAT EXAMPLE
# LAMMPS GJF-2GJ MOLECULAR DYNAMICS RESULTS
## 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.
This directory contains a series of graphs, which display 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 (vhalf) and GJF V is the onsite velocity (vfull). GJF U and GJF V represent exactly the same configurational statistics.