ML_SRPOT_N0

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ML_SRPOT_N0 = [integer]
Default: ML_SRPOT_N0 = 10 

Description: Specifies the exponent of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration (VCAIMAGES).


This parameters sets the exponent [math]\displaystyle{ n }[/math] of the following repulsive exponential potential

[math]\displaystyle{ V(r) = b e^{-(r/\sigma)^n}. }[/math]

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_S0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM

Examples that use this tag