ML ABN: Difference between revisions
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[[Category:Files]][[Category:Machine-learned force fields]][[Category:Output | [[Category:Files]][[Category:Machine-learned force fields]][[Category:Output files]] |
Latest revision as of 13:36, 7 March 2025
In context of the machine-learned force fields method this file serves as an output for the collected training data set. When running VASP with ML_MODE = train, select
it is automatically written out whenever a learning step is performed. The file format is shared with the ML_AB input file, for further details please have a look at the ML_AB Wiki entry. An ML_ABN file can be reused as a starting point for continuation runs (ML_MODE = train
) and local reference configuration re-selection runs (ML_MODE = select
) simply by renaming (or copying) it to ML_AB.