/morse-drps-pccp

Primary LanguageMATLABOtherNOASSERTION

source code for DRPS calculations in
Dynamical properties of two- and three-dimensional colloidal clusters of six particles
by B. Fačkovec and J. W. R. Morgan and D. J. Wales

published in PCCP, doi:10.1039/c6cp00677a

DRPS ... script for processing times of sampled trajectories
KMC ... scripts for kinetic Monte Carlo simulation on a rate matrix
MD ... code for Langevin propagation of Morse structures
PTMC ... parallel tempering Monte Carlo files
TST ... files for PATHSAMPLE with instructions for execution
structures ... assigment of structures to cells in configuration space