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
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.=
+
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 ==

Revision as of 12:09, 27 May 2019

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

Examples that use this tag