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). | |||
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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 16:39, 23 May 2019
This file 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).