ML FF LCONF DISCARD
ML_FF_LCONF_DISCARD = [logical]
Default: ML_FF_LCONF_DISCARD = .FALSE.
Description: This flag decides whether configurations that do not provide local reference configurations are discarded or not in the machine learning force field method.
For the default case (ML_FF_LCONF_DISCARD=.FALSE.) structures are kept as reference data even if they do not provide configurations for the basis set (local configurations).