ML SRPOT B0: Difference between revisions
(Created page with "{{DISPLAYTITLE:ML_SRPOT_B0}} {{TAGDEF|ML_SRPOT_B0|[real]|10.0}} Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|LVCAIMAGES}}). ---- == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_LCOUPLE}}, {{TAG|ML_ICOUPLE}}, {{TAG|ML_RCOUPLE}}, {{TAG|ML_NATOM_COUPLED}}, {{TAG|ML_LEMPPOT}}, {{TAG|ML_EMPPOT_RCUT}}, {{TAG|ML_SRPOT_N0}}, {{TAG|ML_SRPOT_S0}}, {{TAG|ML_MOPOT_NM}},...") |
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Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|LVCAIMAGES}}). | Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|LVCAIMAGES}}). | ||
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The default value is already chosen to be very repulsive and hence for most use cases a sufficient choice. | |||
Revision as of 12:22, 16 March 2026
ML_SRPOT_B0 = [real]
Default: ML_SRPOT_B0 = 10.0
Description: Specifies the height of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration (LVCAIMAGES).
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