Module EnsembleTraj

source code

Multi-copy trajectory

Classes

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EnsembleTrajError

EnsembleTraj
Multiple copy trajectory.

Test
EnsembleTraj test

Functions

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EnsembleTraj traj2ensemble(traj, members=10)
Cast normal Trajectory into EnsembleTrajectory.

Variables

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bigges = 0

Function Details

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traj2ensemble(traj, members=10)

source code

Cast normal Trajectory into EnsembleTrajectory. Resort frames alphabetically by their frame name. This must lead to a sorting first by time step and then by member.

Parameters:

members (int) - number of member trajectories in EnsembleTraj (default: 10)

Returns: EnsembleTraj: converted trajectory

Variables Details

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bigges

Value: