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Difference between revisions of "ML ABN"

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This file contains the same format and information as the {{TAG|ML_AB}} file. The {{TAG|ML_AB}} file is used as an input for continuation runs ({{TAG|ML_FF_ISTART}}=1 or 2). After the calculation is finished the updated information is output to the {{TAG|ML_ABN}} file. This file should be then simply copied to the {{TAG|ML_AB}} file for the nex continuation run.
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This file contains the same format and information as the {{TAG|ML_AB}} file. The {{TAG|ML_AB}} file is used as an input for continuation runs ({{TAG|ML_FF_ISTART}}=1 or 2). After the calculation is finished the updated information is output to the {{TAG|ML_ABN}} file. For a continuation run this file should be simply copied to the {{TAG|ML_AB}} file.
 
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[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:Alpha]]
 
[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:Alpha]]

Latest revision as of 13:16, 2 December 2020

This file contains the same format and information as the ML_AB file. The ML_AB file is used as an input for continuation runs (ML_FF_ISTART=1 or 2). After the calculation is finished the updated information is output to the ML_ABN file. For a continuation run this file should be simply copied to the ML_AB file.