Simpatico
v1.10
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This analyzer identifies micellar clusters present in the system every interval steps and accumulates a histogram of observed cluster sizes, which is output at the end of the simulation.
The parameter file format is:
in which
interval | number of steps between data samples |
outputFileName | name of output file |
speciesId | integer index of molecular species |
atomTypeId | integer index of selected (core block) atom type |
cutoff | neighbor cutoff distance |
histMin | minimum size (aggregation number) in histogram |
histMax | maximum size (aggregation number) in histogram |
Output histogram of cluster size frequencies {outputFileName}.dat in two column format. Entries in the first column are values of aggregation number, i.e., the number of molecules in a cluster. Entries in the second column are probabilties of finding a cluster of that size in a single snapshot.