Commit a948a34f authored by charlie sievers's avatar charlie sievers
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added false positive, removed graphs from examples, updated langevin kokkos,... 

added false positive, removed graphs from examples, updated langevin kokkos, improved diff readability in langevin
parent 1e8e34f3

.gitignore

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/Makefile

/cmake_install.cmake

/lmp
 


#python example

/example/python/gjf_python

doc/utils/sphinx-config/false_positives.txt

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qopenmp

qoverride

qtb

quadratically

quadrupolar

Quant

quartic

examples/gjf/molecular_dynamics_results/README.md

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# LAMMPS GJF-2GJ MOLECULAR DYNAMICS RESULTS



## GJF-2GJ THERMOSTAT



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.

examples/gjf/molecular_dynamics_results/argon_kinetic_energy.pdf

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