I am a graduate student in computational chemistry and a developer of @OpenMD under J. Daniel Gezelter at The University of Notre.
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MD-Condensation-Simulation
MD-Condensation-Simulation PublicA Molecular Dynamics code for Condensation Simulations of flexible SPC/E water
Fortran
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Monte-Carlo-
Monte-Carlo- PublicExample Monte Carlo Simulation of Argon, includes Radial Distribution Function Analysis
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slabBuilder
slabBuilder PublicA utility script used to generate periodic crystals for molecular simulation.
Python
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