ML_LEMPPOT
ML_LEMPPOT = [logical]
Default: ML_LEMPPOT = .FALSE.
Description: Enables the use of auxiliary empirical potentials for thermodynamic integration using VCAIMAGES.
ML_LEMPPOT=.TRUE. sets the following defaults:
- ML_LCOUPLE=.TRUE.
- ML_RCOUPLE=0.0
ML_LEMPPOT=.TRUE. requires ML_LCOUPLE=.TRUE., so no other values for ML_LCOUPLE are permitted.
Related tags and articles
ML_LMLFF, ML_LCOUPLE, ML_ICOUPLE, ML_RCOUPLE, ML_NATOM_COUPLED, ML_EMPPOT_RCUT, ML_SRPOT_B0, ML_SRPOT_N0, ML_SRPOT_S0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM