newanalysis
0.1
Contents:
Getting Started
Example Gallery
API Documentation
newanalysis.correl
newanalysis.diffusion
newanalysis.functions
newanalysis.gfunction
newanalysis.helpers
newanalysis.helpers.NQRdipTen
newanalysis.helpers.NQRself
newanalysis.helpers.NQRselfAndB
newanalysis.helpers.SphereinCube
newanalysis.helpers.applyRotationMatrix
newanalysis.helpers.atomicCurrent
atomicCurrent()
newanalysis.helpers.calcAngularDisplacement
newanalysis.helpers.calcAngularMomentum
newanalysis.helpers.calcDipDipEnergyAtomic
newanalysis.helpers.calcEnergyAA
newanalysis.helpers.calcEnergyAASep
newanalysis.helpers.calcEnergyAAhisto
newanalysis.helpers.calcEnergyAAhisto1
newanalysis.helpers.calcEnergyAApermind
newanalysis.helpers.calcEnergyAApermindhisto
newanalysis.helpers.calcEnergyAtomic
newanalysis.helpers.calcEnergyAtomicVoro
newanalysis.helpers.calcEnergyDouble
newanalysis.helpers.calcEnergyMuA
newanalysis.helpers.calcFourierLaplaceTransform
newanalysis.helpers.calcInertiaTensor
newanalysis.helpers.calcOctant
newanalysis.helpers.calcResidenceTimeseries
newanalysis.helpers.calcRotationMatrix
newanalysis.helpers.centerOrientBox
newanalysis.helpers.centerToPointOrientBox
newanalysis.helpers.checkHBond
newanalysis.helpers.collectiveDipoleMomentWaterShells
newanalysis.helpers.comByResidue
newanalysis.helpers.dipByResidue
newanalysis.helpers.dipTen
newanalysis.helpers.dipTenCorrel
newanalysis.helpers.dipTenInit
newanalysis.helpers.dipoleMomentNeutralSelection
newanalysis.helpers.findDS
newanalysis.helpers.findNearestAtom
newanalysis.helpers.sphHarmMatrix
newanalysis.helpers.sumMDCage
newanalysis.helpers.sumMDCageSingle
newanalysis.helpers.velcomByResidue
newanalysis.helpers.waterRotationMatrix
newanalysis.unfold
newanalysis.voro
newanalysis
API Documentation
newanalysis.helpers
newanalysis.helpers.atomicCurrent
View page source
newanalysis.helpers.atomicCurrent
newanalysis.helpers.
atomicCurrent
(
vel
,
charges
,
result
,
ctr
)