Requests for technical support from the VASP group should be posted in the VASP-forum.
Difference between revisions of "ML FF LBASIS DISCARD"
From Vaspwiki
Jump to navigationJump to search| (4 intermediate revisions by the same user not shown) | |||
| Line 3: | Line 3: | ||
Description: This variable specifies whether the basis sets are thrown away when its number exceeds {{TAG|ML_FF_MB_MB}} in the machine learning force field method. | Description: This variable specifies whether the basis sets are thrown away when its number exceeds {{TAG|ML_FF_MB_MB}} in the machine learning force field method. | ||
---- | ---- | ||
| + | In the default case when {{TAG|ML_FF_LBASIS_DISCARD}}=.FALSE., if the basis set size is exceeding {{TAG|ML_FF_MB_MB}} the learning is stopped. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
| Line 10: | Line 11: | ||
---- | ---- | ||
| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: | + | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
Latest revision as of 15:18, 29 February 2020
ML_FF_LBASIS_DISCARD = [logical]
Default: ML_FF_LBASIS_DISCARD = .FALSE.
Description: This variable specifies whether the basis sets are thrown away when its number exceeds ML_FF_MB_MB in the machine learning force field method.
In the default case when ML_FF_LBASIS_DISCARD=.FALSE., if the basis set size is exceeding ML_FF_MB_MB the learning is stopped.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_MB_MB, ML_FF_MCONF
