Differences

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--- output:main [2019/01/27 10:01] – daniel
+++ output:main [2019/01/27 10:58] – daniel
@@ Line 2: / Line 2: @@
 ====== 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.
@@ Line 11: / Line 12: @@
 Only available for tabulated potentials:
-When compiled with ''bindist'' option, a [[output:bindistfile]] will be created.
+When compiled with the ''bindist'' option, a [[bindistfile]] can be created.
+====  Error report  ====
+At the very end of each //potfit// run there will be an [[output::errors|error report]].
 ====  Final potential  ====
 //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]].
-====  Temporary Potential File  ====
-Every now and then, depending on the algorithm used, an intermediate potential is written to a [[output:tempfile|tempfile]].
 ====  IMD Potential File  ====
-Prefix of files to which the [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] potentials are written, see [[:imd]].
+Prefix of files to which the [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] potentials are written, see [[:imd|IMD]].
-====  Plotting files  ====
-Two files can generated to be used with gnuplot:
-  * The [[output:plotfile|plotfile]] is always created
-  * The [[output: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 [[output: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 [[output: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]].
 ====  Output files  ====
@@ Line 54: / Line 43: @@
 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]].