SK_FILE |
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| SK_FILE a1 a2 filename
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| Define parameter file for atom pair
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| This optional keyword expects precisely 3 words, and may repeat |
PARAM_FILE_PATH |
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| PARAM_FILE_PATH pathname
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| Specify the directory with the DFTB parameter files
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| This optional keyword expects a word. Default value: ./
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PARAM_FILE_NAME |
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| PARAM_FILE_NAME filename
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| Specify file that contains the SK_FILE names
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| This optional keyword expects a word. Default value: " "
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UFF_FORCE_FIELD |
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| UFF_FORCE_FIELD filename
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| Name of file with UFF parameters
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| This optional keyword expects a word. Default value: " "
|