GitHub - dh4nav/GeneralMDTools: General handling tools and libraries for DLPOLY and XYZ molecular dynamics files in python

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General handling tools and libraries for DLPOLY and XYZ molecular dynamics files in python

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Name		Name	Last commit message	Last commit date
Latest commit History 68 Commits
Director		Director
testfiles		testfiles
.gitignore		.gitignore
AddMoleculeKZM.py		AddMoleculeKZM.py
AssembleFieldKZM.py		AssembleFieldKZM.py
CenterConfiguration.py		CenterConfiguration.py
CenterConfiguration2.py		CenterConfiguration2.py
Clustering.py		Clustering.py
Clustering_onethread.py		Clustering_onethread.py
CombineLJParameters.py		CombineLJParameters.py
CompareStatisticHalves.py		CompareStatisticHalves.py
ConstructPairs.py		ConstructPairs.py
DLP2HtoXYZStream.py		DLP2HtoXYZStream.py
DeboxMolecules.py		DeboxMolecules.py
DefineMoleculeTypeKZM.py		DefineMoleculeTypeKZM.py
FilterXYZ.py		FilterXYZ.py
FoldPeriodic.py		FoldPeriodic.py
GaussInputToXYZ.py		GaussInputToXYZ.py
GaussOutputProgressToXYZ.py		GaussOutputProgressToXYZ.py
GaussOutputToXYZ.py		GaussOutputToXYZ.py
GetBoxsize.py		GetBoxsize.py
GetMinDistance.py		GetMinDistance.py
GetMinimumViaRelaxation.py		GetMinimumViaRelaxation.py
GetSpecificFrames.py		GetSpecificFrames.py
InterpolateLJ.py		InterpolateLJ.py
IntersectConfigurations.py		IntersectConfigurations.py
MultiplyBox.py		MultiplyBox.py
PosToVelocity.py		PosToVelocity.py
STATIStoONELINE.py		STATIStoONELINE.py
ScaleEnsemble.py		ScaleEnsemble.py
SelectiveRDF.py		SelectiveRDF.py
SplitXYZ.py		SplitXYZ.py
StatisSorter.py		StatisSorter.py
SubstBiW.py		SubstBiW.py
TestCONFIGv2		TestCONFIGv2
TrimConfiguration.py		TrimConfiguration.py
XYZ_Filter_Template.py		XYZ_Filter_Template.py
XYZtoDLP2C.py		XYZtoDLP2C.py
__init__.py		__init__.py
pbc.py		pbc.py
plotmat.py		plotmat.py
testrot.py		testrot.py
xyz.py		xyz.py
xyz.pyc		xyz.pyc
xyzt.py		xyzt.py