ML MB
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