utilities:main
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utilities:main [2018/01/05 09:29] – created daniel | utilities:main [2020/08/02 08:52] (current) – Add castep2force daniel | ||
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- | Test 123 | + | ====== Utilities ====== |
+ | ---- | ||
+ | The '' | ||
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+ | [[utilities: | ||
+ | Convert a potfit configuration into an IMD checkpoint file. | ||
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+ | [[utilities: | ||
+ | Convert a potfit configuration into a VASP POSCAR file. | ||
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+ | [[utilities: | ||
+ | Prints a brief list of all configurations in a potfit config file. | ||
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+ | [[utilities: | ||
+ | Create an analytic potential file for potift. | ||
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+ | [[utilities: | ||
+ | Plot an analytic potfit potential using gnuplot. | ||
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+ | [[utilities: | ||
+ | Creates a parameter file for //potfit// from scratch. | ||
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+ | [[utilities: | ||
+ | Converts CASTEP .md files to potfit force files. | ||
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+ | [[utilities: | ||
+ | Converts vasp output (POSCAR, OUTCAR) to reference configuration data. | ||
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+ | [[utilities: | ||
+ | Reads various properties of OpenKIM models and prints them. | ||
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+ | [[utilities: | ||
+ | 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.1515140986.txt.gz · Last modified: 2018/01/05 09:29 by daniel