ML AB: Difference between revisions
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This file contains the ab initio data (positions, energies, forces and stress tensors) from previous calculations. It is used for continuation runs ({{TAG|ML_FF_ISTART}}=1 or {{TAG|ML_FF_ISTART}}=2). | This file is used within the machine learning force field method. It contains the ab initio data (positions, energies, forces and stress tensors) from previous calculations. It is used for continuation runs ({{TAG|ML_FF_ISTART}}=1 or {{TAG|ML_FF_ISTART}}=2). | ||
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[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:VASP6]] | [[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:VASP6]] | ||
Revision as of 16:40, 23 May 2019
This file is used within the machine learning force field method. It contains the ab initio data (positions, energies, forces and stress tensors) from previous calculations. It is used for continuation runs (ML_FF_ISTART=1 or ML_FF_ISTART=2).