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Difference between revisions of "ML FF MB MB"

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(Created page with "{{TAGDEF|ML_FF_MB_MB|[integer]|1000}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_MB_MB|Examples|Examples that use this tag}} ---- Category:INCARCat...")
 
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{{TAGDEF|ML_FF_MB_MB|[integer]|1000}}
 
{{TAGDEF|ML_FF_MB_MB|[integer]|1000}}
  
Description:
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Description: This flag sets the maximum number of basis sets describing the many-body interactions in the machine learning force field method.
 
----
 
----
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The default value is usually a safe value but should be set to a higher value as soon as it is reached. In this case the previous learning calculation should be repeated. By using {{TAG|ML_FF_LBASIS_DISCARD}}=''.FALSE.'' (default setting for this tag) it can be easily detected if {{TAG|ML_FF_MB_MB}} is reached, since the learning would simply stop.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_LBASIS_DISCARD}}, {{TAG|ML_FF_MCONF}}, {{TAG|ML_FF_LCONF_DISCARD}}
  
 
{{sc|ML_FF_MB_MB|Examples|Examples that use this tag}}
 
{{sc|ML_FF_MB_MB|Examples|Examples that use this tag}}
 
----
 
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]

Revision as of 16:22, 13 May 2019

ML_FF_MB_MB = [integer]
Default: ML_FF_MB_MB = 1000 

Description: This flag sets the maximum number of basis sets describing the many-body interactions in the machine learning force field method.


The default value is usually a safe value but should be set to a higher value as soon as it is reached. In this case the previous learning calculation should be repeated. By using ML_FF_LBASIS_DISCARD=.FALSE. (default setting for this tag) it can be easily detected if ML_FF_MB_MB is reached, since the learning would simply stop.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LBASIS_DISCARD, ML_FF_MCONF, ML_FF_LCONF_DISCARD

Examples that use this tag