utilities
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| utilities [2013/08/29 11:14] – [potfit_setup] daniel | utilities [2013/08/29 11:22] – daniel | ||
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| - | [[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, | ||
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| Writes a force file to be used as a //potfit// reference configuration to standard output. If no options are given, force data is generated from each ionic step. | Writes a force file to be used as a //potfit// reference configuration to standard output. If no options are given, force data is generated from each ionic step. | ||
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| - | ==== awk scripts | ||
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| - | The awk scripts are listed on a [[utilities/ | ||