ML_SRPOT_S0
ML_SRPOT_S0 = [real]
Default: ML_SRPOT_S0 = 2.0
Description: Specifies the broadening of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration (VCAIMAGES).
This parameters sets the broadening [math]\displaystyle{ \sigma }[/math] of the following repulsive exponential potential
[math]\displaystyle{ V(r) = b e^{-(r/\sigma)^n}. }[/math]
In most use cases a value between 1 and 2 is optimal.
Related tags and articles
ML_LMLFF, ML_LCOUPLE, ML_ICOUPLE, ML_RCOUPLE, ML_NATOM_COUPLED, ML_LEMPPOT, ML_EMPPOT_RCUT, ML_SRPOT_B0, ML_SRPOT_N0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM