amep.evaluate#

Trajectory Analysis#

The AMEP module amep.evaluate contains the main analysis classes for analyzing whole trajectories, performing time averages, and calculating observables from simulation data of particle-based and continuum simulations.

Classes

ClusterGrowth(traj[, skip, nav, min_size, ...])

Growth of clusters over time.

ClusterSizeDist(traj[, skip, nav, ...])

Clustersize distribution.

EkinRot(traj, inertia[, mode, skip, nav, ...])

Rotational kinetic energy.

EkinTot(traj, mass, inertia[, skip, nav])

Total kinetic energy.

EkinTrans(traj, mass[, mode, skip, nav])

Translational kinetic energy.

Function(traj, func[, skip, nav])

Apply a user-defined function to a trajectory.

HexOrderCor(traj[, skip, nav, ptype, other])

Spatial correlation function of the hexagonal order parameter.

LDdist(traj[, skip, nav, nbins, xmin, xmax, ...])

Local density distribution.

MSD(traj[, ptype, skip, nav, use_nojump, pbc])

Mean-square displacement.

OACF(traj[, ptype, skip, nav, direction])

Orientational autocorrelation function.

PCF2d(traj[, skip, nav, ptype, other])

2d pair correlation function.

PCFangle(traj[, skip, nav, ptype, other])

2d angular pair correlation function.

PosOrderCor(traj[, grtdata, sxydata, skip, ...])

Positional order correlation function.

Psi6dist(traj[, skip, nav, nbins, ptype, other])

Distribution of the hexagonal order parameter.

RDF(traj[, skip, nav, ptype, other])

Radial pair distribution function.

SF2d(traj[, skip, nav, ptype, other, ...])

2d static structure factor.

SFiso(traj[, skip, nav, qmax, twod, njobs, ...])

Isotropic static structure factor.

SpatialVelCor(traj[, skip, nav, ptype, other])

Spatial velocity correlation function.

TimeCor(traj, *args[, ptype, skip, nav])

Calculate the autocorrelation function in time of a user-defined quantity.

VACF(traj[, ptype, skip, nav, direction])

Velocity autocorrelation function.

VelDist(traj[, skip, nav, nbins, ptype, ...])

Velocity distribution.