Package nMOLDYN :: Package Analysis :: Module Template
[hide private]
[frames] | no frames]

Module Template

source code

This modules implements the estimate, serial and parrallel templates for all analysis.

Classes [hide private]
  SerialPerAtom
Template class for an analysis atom-by-atom ran in serial mode.
  ParallelPerAtom
Template class for an analysis atom-by-atom ran in parallel mode.
  SerialPerFrame
Template class for an analysis atom-by-atom ran in serial mode.
  ParallelPerFrame
Template class for an analysis frame-by-frame ran in parallel mode.
  SerialPerGroup
Template class for an analysis group-by-group ran in serial mode.
  ParallelPerGroup
Template class for an analysis group-by-group ran in parallel mode.
  SerialPerQShell
Template class for an analysis qshell-by-qshell ran in serial mode.
  ParallelPerQShell
Template class for an analysis qshell-by-qshell ran in parallel mode.
  MeanSquareDisplacement_serial
  MeanSquareDisplacement_parallel
  RootMeanSquareDeviation_serial
  RootMeanSquareDeviation_parallel
  CartesianVelocityAutoCorrelationFunction_serial
  CartesianVelocityAutoCorrelationFunction_parallel
  CartesianDensityOfStates_serial
  CartesianDensityOfStates_parallel
  AutoRegressiveAnalysis_serial
  AutoRegressiveAnalysis_parallel
  PassBandFilteredTrajectory_serial
  PassBandFilteredTrajectory_parallel
  DynamicIncoherentStructureFactor_serial
  DynamicIncoherentStructureFactor_parallel
  DynamicIncoherentStructureFactorGaussian_serial
  DynamicIncoherentStructureFactorGaussian_parallel
  ElasticIncoherentStructureFactor_serial
  ElasticIncoherentStructureFactor_parallel
  RadiusOfGyration_serial
  RadiusOfGyration_parallel
  DynamicIncoherentStructureFactorAR_serial
  DynamicIncoherentStructureFactorAR_parallel
  SmoothedStaticCoherentStructureFactor_serial
  SmoothedStaticCoherentStructureFactor_parallel
  PairDistributionFunction_serial
  PairDistributionFunction_parallel
  CoordinationNumber_serial
  CoordinationNumber_parallel
  ScrewFitAnalysis_serial
  ScrewFitAnalysis_parallel
  SpatialDensity_serial
  SpatialDensity_parallel
  GlobalMotionFilteredTrajectory_serial
  GlobalMotionFilteredTrajectory_parallel
  CenterOfMassTrajectory_serial
  CenterOfMassTrajectory_parallel
  OrderParameterContactModel_serial
  OrderParameterContactModel_parallel
  AngularCorrelation_serial
  AngularCorrelation_parallel
  RigidBodyTrajectory_serial
  RigidBodyTrajectory_parallel
  ReorientationalCorrelationFunction_serial
  ReorientationalCorrelationFunction_parallel
  AngularVelocityAutoCorrelationFunction_serial
  AngularVelocityAutoCorrelationFunction_parallel
  AngularDensityOfStates_serial
  AngularDensityOfStates_parallel
  OrderParameter_serial
  OrderParameter_parallel
  QuasiHarmonicAnalysis_serial
  DynamicCoherentStructureFactor_serial
  DynamicCoherentStructureFactor_parallel
  StaticCoherentStructureFactor_serial
  StaticCoherentStructureFactor_parallel
  DynamicCoherentStructureFactorAR_serial
  DynamicCoherentStructureFactorAR_parallel
Functions [hide private]
 
startSlaves(taskName, pyroServer, pyroNodes)
Starts the slaves.
source code
Variables [hide private]
  nmoldyn_package_path = os.path.dirname(os.path.split(__file__)...
Function Details [hide private]

startSlaves(taskName, pyroServer, pyroNodes)

source code 

Starts the slaves.

Parameters:
  • pyroServer (string.) - the type of pyro server. One of 'multiprocessor' or 'cluster'.
  • pyroNodes (dict.) - a dictionnary whose keys are the name of the nodes and the value the number of cpus to allocate to this node.

Variables Details [hide private]

nmoldyn_package_path

Value:
os.path.dirname(os.path.split(__file__) [0])