js850/kmc_rates

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3
Rank 3,959,769 (Top 79 %)
Language
Python
Created almost 11 years ago
Updated almost 10 years ago

js850/kmc_rates

js850

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Exact algorithm for computing transition rates, commitor probabilities, and mean first passage times in a Kinetic Monte Carlo network

nested_sampling

python based implementation of the nested sampling algorithm

PyGMIN

global optimization and energy landscape exploration

lbfgs_cpp

c++ implementation of the LBFGS optimization algorithm

KustoPandas

test_opt

Test functions for optimization

histogram_reweighting

tools for reweighting histograms from parallel tempering computations