Package nMOLDYN :: Package Analysis :: Module Template |
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# 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])