ML SRPOT B0: Difference between revisions
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{{DISPLAYTITLE:ML_SRPOT_B0}} | {{DISPLAYTITLE:ML_SRPOT_B0}} | ||
{{TAGDEF|ML_SRPOT_B0|[real]| | {{TAGDEF|ML_SRPOT_B0|[real]|1.0}} | ||
Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). | Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). | ||
Revision as of 13:08, 16 March 2026
ML_SRPOT_B0 = [real]
Default: ML_SRPOT_B0 = 1.0
Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration (VCAIMAGES).
The default value is already chosen to be very repulsive and hence for most use cases a sufficient choice.
Related tags and articles
ML_LMLFF, ML_LCOUPLE, ML_ICOUPLE, ML_RCOUPLE, ML_NATOM_COUPLED, ML_LEMPPOT, ML_EMPPOT_RCUT, ML_SRPOT_N0, ML_SRPOT_S0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM