Differences

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--- utilities:main [2018/01/05 09:39] – daniel
+++ utilities:main [2020/08/02 08:52] (current) – Add castep2force daniel
@@ Line 1: / Line 1: @@
 ====== Utilities ======
 ----
-The potfit/util directory contains a number of utility programs for the preparation of //potfit// input files and the postprocessing of //potfit// output files.
+The ''util'' subdirectory in the //potfit// source tree contains a number of utility programs for the preparation of //potfit// input files and the postprocessing of //potfit// output files.
 [[utilities:force2imd|force2imd]]\\
- Convert a potfit configuration into an IMD checkpoint file.
+Convert a potfit configuration into an IMD checkpoint file.
 [[utilities:force2poscar|force2poscar]]\\
- Convert a potfit configuration into a VASP POSCAR file.
+Convert a potfit configuration into a VASP POSCAR file.
 [[utilities:list_config|list_config]]\\
- Prints a brief list of all configurations in a potfit config file.
+Prints a brief list of all configurations in a potfit config file.
 [[utilities:makeapot|makeapot]]\\
- Create an analytic potential file for potift.
+Create an analytic potential file for potift.
 [[utilities:plotapot|plotapot]]\\
- Plot an analytic potfit potential using gnuplot.
+Plot an analytic potfit potential using gnuplot.
 [[utilities:potfit_setup|potfit_setup]]\\
- Creates a parameter file for //potfit// from scratch.
+Creates a parameter file for //potfit// from scratch.
+[[utilities:castep2force|castep2force]]\\
+Converts CASTEP .md files to potfit force files.
 [[utilities:vasp2force|vasp2force]]\\
- Converts vasp output (POSCAR, OUTCAR) to reference configuration data.
+Converts vasp output (POSCAR, OUTCAR) to reference configuration data.
+[[utilities:kim_read_model_props|kim_read_model_props]]\\
+Reads various properties of OpenKIM models and prints them.
 [[utilities:awk_scripts|awk scripts]]\\
 A series of awk scripts to handle various tasks with potential files, like combining, appending, creating from analytical functions, generating from scratch, plotting,...