ML SRPOT N0: Difference between revisions
(Created page with "{{DISPLAYTITLE:ML_SRPOT_N0}} {{TAGDEF|ML_SRPOT_N0|[integer]|10}} Description: Specifies the exponent of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). ---- We advise to use an exponent that resembles a Gaussian function ({{TAG|ML_SRPOT_N0}}=2). == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_LCOUPLE}}, {{TAG|ML_ICOUPLE}}, {{TAG|ML_RCOUPLE}}, {{TAG|ML_NATOM_COUPLED}}, {{TAG|ML_LEMPPOT}}...") |
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Description: Specifies the exponent of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). | Description: Specifies the exponent of a soft repulsive exponential potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). | ||
---- | ---- | ||
This parameters sets the exponent <math>n</math> of the following repulsive exponential potential | |||
<math> | |||
V(r) = b e^{-(r/\sigma)^n}. | |||
</math> | |||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 15:03, 24 March 2026
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