TIME_CORRELATIONS

NAME
TIME_CORRELATIONS - Compute velocity autocorrelation functions and root mean displacements.

SYNOPSIS

TIME_CORRELATIONS
    ...
    ...
END

DESCRIPTION
The command TIME_CORRELATIONS opens an environment which includes a series of subcommands to define the parameters used in the calculation.

diffusion   OPEN   filename
compute the mean square displacements $\vert r(t) - r(0)\vert^{2}$

divide_step  nspline
provide a number equal to nspline of interpolated points between data points.

vacf   OPEN  filename
Compute velocity autocorrelation functions and print out results to file filename

EXAMPLES

TIME_CORRELATIONS 
  vacf OPEN vacf.test2
  divide_step 2
  diffusion  OPEN diff.test2
END

WARNINGS
When the the subcommand use_neighbor is used cutoff cannot exceed the neighbor lists cutoffs. Experimental - Unsupported