ML SRPOT S0: Difference between revisions
(Created page with "{{DISPLAYTITLE:ML_SRPOT_S0}} {{TAGDEF|ML_SRPOT_S0|[real]|2.0}} Description: Specifies the broadening of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). ---- In most use cases a value between 1 and 2 is optimal. == 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...") |
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Description: Specifies the broadening of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). | Description: Specifies the broadening of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). | ||
---- | ---- | ||
This parameters sets the broadening <math>\sigma</math> of the following repulsive exponential potential | |||
<math> | |||
V(r) = b e^{-(r/\sigma)^n}. | |||
</math> | |||
In most use cases a value between 1 and 2 is optimal. | In most use cases a value between 1 and 2 is optimal. | ||
Latest revision as of 15:02, 24 March 2026
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