utilities:main
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utilities:main [2018/01/05 09:48] – daniel | utilities:main [2020/08/02 08:52] (current) – Add castep2force daniel | ||
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Creates a parameter file for //potfit// from scratch. | Creates a parameter file for //potfit// from scratch. | ||
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+ | Converts CASTEP .md files to potfit force files. | ||
[[utilities: | [[utilities: | ||
Converts vasp output (POSCAR, OUTCAR) to reference configuration data. | Converts vasp output (POSCAR, OUTCAR) to reference configuration data. | ||
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+ | Reads various properties of OpenKIM models and prints them. | ||
[[utilities: | [[utilities: | ||
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