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--- utilities [2013/08/21 15:13] – daniel
+++ utilities [2013/08/29 11:14] – [potfit_setup] daniel
@@ Line 143: / Line 143: @@
 This utility generates a simple parameter file for //potfit//.
-Usage:
-  potfit_setup [-c config file] [-p potential file] [-s prefix]
 <code>
- -c <config file>       name of the configuration file
+usage: potfit_setup [-h] [-c config file] [-p potential file] [-s prefix]
- -p <potential file>    name of the potential file
-                        for analytic potentials this can easily be created with
+Create a simple potfit parameter file from scratch.
-                        the makeapot script from the awkscripts
- -s <prefix>            prefix for all files, overrides -c and -p
+optional arguments:
-                        the following files will be checked:
+  -h, --help         show this help message and exit
-                        <prefix>.pot and <prefix>.config
+  -c config file     name of the potfit configuration file
-                        if they are not found, -c and -p will be read
+  -p potential file  name of the potfit potential file
+  -s prefix          prefix for all files
+The prefix takes precedence over the -c and -p switches.If the <prefix>.pot
+and <prefix>.config files are not found, the values of -c and -p are checked.
 </code>
+If the config file is given via the -c or -s option, the number of atom
+types is automatically determined and adjusted in the output.
 ====  vasp2force  ====