Differences

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--- output [2013/03/01 09:58] – daniel
+++ output:main [2019/01/27 10:45] – daniel
@@ Line 2: / Line 2: @@
 ====== Output ======
 ----
-//potfit// prints information on the minimization progress to the standard output. Additionally all input and output files used are also written to standard output. The output of the optimization will also be written to standard output unless the ''output_prefix'' parameter is set in the parameter file (which is strongly recommended).
+//potfit// prints information on the minimization progress to the standard output. Additionally all input and output file names are also written to standard output.
+The output of the optimization will also be written to standard output unless the ''output_prefix'' parameter is set in the parameter file (which is highly recommended).
 =====  Potfit Output Files  =====
-====  Final potential  ====
+====  Binned distribution file  ====
-//potfit// always writes the potential achieved in minimization to a file using the same format as for the input potential. The name of this file is specified by the [[parameters|endpot parameter]].
+Only available for tabulated potentials:
+When compiled with the ''bindist'' option, a [[bindistfile]] can be created.
-====  Temporary Potential File  ====
+====  Error report  ====
-Every now and then, depending on the algorithm used, an intermediate potential is written to a [[tempfile|tempfile]].
+At the very end of a //potfit// run there will be an [[output::errors|error report]].
-====  IMD Potential File  ====
+====  Final potential  ====
-Prefix of files to which the [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] potentials are written, see [[IMD]].
+//potfit// always writes the potential achieved in minimization to a file using the same format as for the input potential. The name of this file is specified by the [[:parameters|endpot parameter]].
-====  Plotting files  ====
+====  IMD Potential File  ====
-Two files can generated to be used with gnuplot:
+Prefix of files to which the [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] potentials are written, see [[:imd|IMD]].
-  * The [[plotfile|plotfile]] is always created
-  * The [[plotpointfile|plotpointfile]] can be created for tabulated potentials if ''plotpointfile'' is set in the [[parameters|parameter file]].
-====  Pair distribution file  ====
-If ''write_pair'' is set to ''1'' in the [[parameters|parameter file]], the [[pair_distribution|pair distribution file]] will be written after the optimization.
 ====  LAMMPS potential file  ====
-If ''write_lammps'' is set to ''1'' in the [[parameters|parameter file]], //potfit// will write a potential file for [[http://lammps.sandia.gov/|LAMMPS]]. This feature does not work for all potentials, for details see [[Lammps]].
+If ''write_lammps'' is set to ''1'' in the [[:parameters|parameter file]], //potfit// will write a potential file for [[http://lammps.sandia.gov/|LAMMPS]]. This feature does not work for all potentials, for details see [[lammps|LAMMPS]].
-====  Dist file  ====
-For tabulated potentials:
-When compiled with ''dist'' option, a [[distfile]] will be created.
 ====  Output files  ====
@@ Line 50: / Line 42: @@
 All these files contain header lines, describing the following data.
+====  Pair distribution file  ====
+If ''write_pair'' is set to ''1'' in the [[:parameters|parameter file]], the [[pair_distribution|pair distribution file]] will be written after the optimization.
+====  Plotting files  ====
+Two files can generated to be used with gnuplot:
+  * The [[plotfile|plotfile]] is always created
+  * The [[plotpointfile|plotpointfile]] can be created for tabulated potentials if ''plotpointfile'' is set in the [[:parameters|parameter file]].
+====  Temporary Potential File  ====
+Every now and then, depending on the algorithm used, an intermediate potential is written to a [[tempfile|tempfile]].