DisconnectionDPS

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Revision as of 13:59, 1 July 2008 by import>Mp466
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disconnection_DPS is a hacked version of disconnection that can read in pathsample generated output files min.data, and ts.data. It also has the ability of producing postscripts with color. The disconnection programs are currently only compiled with the Portland Fortran compilers. The input parameters are read from a file called dinfo.

A Minimal example of dinfo

     delta   15
     first   -490.0
     levels  10
     minima  min.data
     ts      ts.data

delta - energy difference between levels

first - qualifies highest energy state

levels - specifies number energy levels

minima - file name with 2 columns minima index minima energy

ts - file name with 4 columns ts index number, ts energy, number of 1st connected minimum, number of 2nd connected minimum,

There are many other flags for centering the trunk, output files, output appearance. The minima can be reorganized with manipulate.f90. Nodes are only moved horizontally.