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utilities:main [2018/01/05 09:48] – danielutilities:main [2020/08/02 08:52] (current) – Add castep2force daniel
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 [[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:castep2force|castep2force]]\\
 +Converts CASTEP .md files to potfit force files.
  
 [[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.1515142084.txt.gz · Last modified: 2018/01/05 09:48 by daniel