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utilities:main [2018/01/05 09:39] danielutilities:main [2019/02/27 17:14] daniel
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 ====== Utilities ====== ====== 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]]\\ [[utilities:force2imd|force2imd]]\\
- Convert a potfit configuration into an IMD checkpoint file.+Convert a potfit configuration into an IMD checkpoint file.
  
 [[utilities:force2poscar|force2poscar]]\\ [[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]]\\ [[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]]\\ [[utilities:makeapot|makeapot]]\\
- Create an analytic potential file for potift.+Create an analytic potential file for potift.
  
 [[utilities:plotapot|plotapot]]\\ [[utilities:plotapot|plotapot]]\\
- Plot an analytic potfit potential using gnuplot.+Plot an analytic potfit potential using gnuplot.
    
 [[utilities:potfit_setup|potfit_setup]]\\ [[utilities:potfit_setup|potfit_setup]]\\
- Creates a parameter file for //potfit// from scratch.+Creates a parameter file for //potfit// from scratch.
  
 [[utilities:vasp2force|vasp2force]]\\ [[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]]\\ [[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,... A series of awk scripts to handle various tasks with potential files, like combining, appending, creating from analytical functions, generating from scratch, plotting,...
utilities/main.txt · Last modified: 2020/08/02 08:52 by daniel