Difference between revisions of "DisconnectionDPS"
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− | disconnection_DPS is a hacked version of disconnection that can read in pathsample generated output |
+ | '''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. |
files min.data, and ts.data. It also has the ability of producing postscripts with color. |
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− | The disconnection programs are currently only compiled with the Portland |
+ | The disconnection programs are currently only compiled with the Portland Fortran compilers. |
The input parameters are read from a file called dinfo. |
The input parameters are read from a file called dinfo. |
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− | A |
+ | A Minimal example of dinfo |
delta 15 |
delta 15 |
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first -490.0 |
first -490.0 |
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ts ts.data |
ts ts.data |
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− | delta - energy difference between levels |
+ | delta - energy difference between levels |
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+ | The minima can be reorganized with '''manipulate.f90'''. Nodes are only moved horizontally. |
Revision as of 13:59, 1 July 2008
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.