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output:bindistfile

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Distfile


Information on how often each segment (between two sampling points) of the various functions is used in force calculation is printed to the file given by the parameter distfile.

To enable this feature, compile potfit with the dist switch. This information can be useful to check whether sampling points have a sensible density and/or distribution.

<span style="color:red">This option is incompatible with mpi parallelization and only available for tabulated potentials.</span>

In the output file you get a datapoint for every segment between two potential datapoints. Different potentials are separated by two newlines.

Example

If your potential would be defined by values at $r=1,2,3$ then you would get a distfile with values at $1.5$ and $2.5$ representing the two segments.

This is a distfile combined with the plotpointfile to visualize the output:

output/bindistfile.1537719427.txt.gz ยท Last modified: 2018/09/23 18:17 by daniel