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models:openkim [2019/02/23 11:11] – danielmodels:openkim [2019/03/06 18:59] (current) – daniel
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 Using "dump_file" will create a //potfit// potential for the selected "kim_model_name". "dump" will output a //potfit// potential to standard output. And using "use_default" will use the default values for all parameters as provided by the OpenKIM model. Using "dump_file" will create a //potfit// potential for the selected "kim_model_name". "dump" will output a //potfit// potential to standard output. And using "use_default" will use the default values for all parameters as provided by the OpenKIM model.
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 +Some OpenKIM models also support writing a new parameter file to a specified location, which can then be used to compile a new OpenKIM model directly. The directory can be specified with the "kim_model_output_directory" and the model name with "kim_model_output_name". If a model does support this feature can be checked with the [[utilities::kim_read_model_props]] utiliy.
  
 Here is a short example of the additional OpenKIM parameters in the parameter file: Here is a short example of the additional OpenKIM parameters in the parameter file:
models/openkim.1550916676.txt.gz · Last modified: 2019/02/23 11:11 by daniel