output:main
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output:main [2019/01/27 10:08] – daniel | output:main [2019/10/08 19:03] (current) – slongbottom | ||
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====== Output ====== | ====== Output ====== | ||
---- | ---- | ||
+ | |||
//potfit// prints information on the minimization progress to the standard output. Additionally all input and output file names are also written to standard output. | //potfit// prints information on the minimization progress to the standard output. Additionally all input and output file names are also written to standard output. | ||
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Only available for tabulated potentials: | Only available for tabulated potentials: | ||
- | When compiled with '' | + | When compiled with the '' |
==== Error report | ==== Error report | ||
- | [[output:: | + | At the very end of each //potfit// run there will be an [[output:: |
==== Final potential | ==== Final potential | ||
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==== IMD Potential File ==== | ==== IMD Potential File ==== | ||
- | Prefix of files to which the [[http:// | + | Prefix of files to which the [[http:// |
==== LAMMPS potential file ==== | ==== LAMMPS potential file ==== | ||
- | If '' | + | If '' |
==== Output files ==== | ==== Output files ==== | ||
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==== Pair distribution file ==== | ==== Pair distribution file ==== | ||
- | If '' | + | If '' |
==== Plotting files ==== | ==== Plotting files ==== | ||
Two files can generated to be used with gnuplot: | Two files can generated to be used with gnuplot: | ||
- | * The [[output:plotfile|plotfile]] is always created | + | * The [[plotfile|plotfile]] is always created |
- | * The [[output:plotpointfile|plotpointfile]] can be created for tabulated potentials if '' | + | * The [[plotpointfile|plotpointfile]] can be created for tabulated potentials if '' |
==== Temporary Potential File ==== | ==== Temporary Potential File ==== | ||
- | Every now and then, depending on the algorithm used, an intermediate potential is written to a [[output:tempfile|tempfile]]. | + | Every now and then, depending on the algorithm used, an intermediate potential is written to a [[tempfile|tempfile]]. |
+ | |||
+ | ==== Potential ensemble file ==== | ||
+ | |||
+ | Only available for analytic potentials: | ||
+ | When compiled with the '' |
output/main.1548580131.txt.gz · Last modified: 2019/01/27 10:08 by daniel