dejac001 / MCFlow Public

An analysis and workflow package for use with Monte Carlo molecular simulations in MCCCS-MN

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Name		Name	Last commit message	Last commit date
Latest commit History 175 Commits
.idea		.idea
docs		docs
examples		examples
mcflow		mcflow
plotting		plotting
quick		quick
scripts		scripts
tests		tests
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
UCDens.py		UCDens.py
UCLocation.py		UCLocation.py
addOrRemoveMolecules.py		addOrRemoveMolecules.py
analysis_parsers.py		analysis_parsers.py
calckH.py		calckH.py
changeBias.py		changeBias.py
changeBiasSimple.py		changeBiasSimple.py
changeProbs.py		changeProbs.py
channelLocation.py		channelLocation.py
chem_constants.py		chem_constants.py
count_MCCs.py		count_MCCs.py
defineIntersection.py		defineIntersection.py
file_organization.py		file_organization.py
fraction_gauche.py		fraction_gauche.py
getData.py		getData.py
heat_map2D.py		heat_map2D.py
hydrogen_bonding.py		hydrogen_bonding.py
hydrogen_bonding_map.py		hydrogen_bonding_map.py
plotter.py		plotter.py
properties.py		properties.py
rdf.py		rdf.py
rdf_from_location.py		rdf_from_location.py
requirements.txt		requirements.txt
s_factor.py		s_factor.py
setup_production.py		setup_production.py
statistics.py		statistics.py
structure_analysis.py		structure_analysis.py
submitcheck.py		submitcheck.py
trajectory.py		trajectory.py
write3D.py		write3D.py
writeGasIso.py		writeGasIso.py
writeHB.py		writeHB.py
writeSpecialvY.py		writeSpecialvY.py
writeVLCC.py		writeVLCC.py
writeXvY.py		writeXvY.py
writekH.py		writekH.py

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