GitHub - dring91/python-scripts: This repository contains scripts related to the CarI project

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 137 Commits
geometry		geometry
tests		tests
.gitignore		.gitignore
Documentation.ipynb		Documentation.ipynb
Jacobian.py		Jacobian.py
MAKE_SQL_DATABASE.sql		MAKE_SQL_DATABASE.sql
README.md		README.md
adsorption.py		adsorption.py
analyze.py		analyze.py
average.py		average.py
bend_plane.py		bend_plane.py
block.py		block.py
bonds.py		bonds.py
bridging.py		bridging.py
build_conf.py		build_conf.py
calcAngle.py		calcAngle.py
calcContactAngle.py		calcContactAngle.py
calcDiffusion.py		calcDiffusion.py
calcEndToEnd.py		calcEndToEnd.py
calcInterface.py		calcInterface.py
calcPorosity.py		calcPorosity.py
calcSphericalPorosity.py		calcSphericalPorosity.py
calcSurfTension.py		calcSurfTension.py
calcTortuosity.py		calcTortuosity.py
checkConfig.py		checkConfig.py
check_dicts.py		check_dicts.py
circular.py		circular.py
collapse_curves.py		collapse_curves.py
combine.py		combine.py
conf_tools.py		conf_tools.py
convert.py		convert.py
cutOutBox.py		cutOutBox.py
cutOutDrop.py		cutOutDrop.py
delete.py		delete.py
delete_molecules.py		delete_molecules.py
delete_region.py		delete_region.py
file_check.py		file_check.py
file_split.py		file_split.py
files.py		files.py
fit.py		fit.py
grad.py		grad.py
images.py		images.py
insert_tools.py		insert_tools.py
insertion.py		insertion.py
integrate.py		integrate.py
link.py		link.py
makeCylinder.py		makeCylinder.py
makeDatabase.py		makeDatabase.py
makeMelt.py		makeMelt.py
makeSurface.py		makeSurface.py
makeTrajDatabase.py		makeTrajDatabase.py
mean.py		mean.py
modify.py		modify.py
modifyConfig.py		modifyConfig.py
normalize.py		normalize.py
pbc_tools.py		pbc_tools.py
plot.py		plot.py
plotAnglePotential.py		plotAnglePotential.py
pore.py		pore.py
rdf.py		rdf.py
readDatabase.py		readDatabase.py
readLog.py		readLog.py
regions.py		regions.py
removeCrossSection.py		removeCrossSection.py
renumber.py		renumber.py
rewrite.py		rewrite.py
rotateParticles.py		rotateParticles.py
rotate_tools.py		rotate_tools.py
select_frames.py		select_frames.py
size.py		size.py
slope.py		slope.py
sphSize.py		sphSize.py
spherical_particles.py		spherical_particles.py
surface_coverage.py		surface_coverage.py
surface_energy.py		surface_energy.py
trajectory.py		trajectory.py
txt-sql.py		txt-sql.py
undo_bondswap.py		undo_bondswap.py
unwrap.py		unwrap.py
viscosity.py		viscosity.py
voronoi.py		voronoi.py
write_individual.py		write_individual.py

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This repository contains scripts related to the CarI project

Should come up with a way to take geometric quantities and generate output files that can be read by VMD (eg. center of mass and RG data, box dimensions, or particle orientation)

dring91/python-scripts

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