ML MOPOT RKM: Difference between revisions
(Created page with "{{DISPLAYTITLE:ML_MOPOT_RKM}} {{TAGDEF|ML_MOPOT_RKM|[real]|1.0}} Description: Specifies the width parameter of the Morse potentials used as auxiliary potentials in thermodynamic integration ({{TAG|VCAIMAGES}}). ---- == 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_B0}}, {{TAG|ML_SRPOT_N0}}, {{TAG|ML_SRPOT_S0}}, {{TAG|ML_MO...") |
No edit summary |
||
| Line 4: | Line 4: | ||
Description: Specifies the width parameter of the Morse potentials used as auxiliary potentials in thermodynamic integration ({{TAG|VCAIMAGES}}). | Description: Specifies the width parameter of the Morse potentials used as auxiliary potentials in thermodynamic integration ({{TAG|VCAIMAGES}}). | ||
---- | ---- | ||
This parameters sets width parameter <math>\beta</math> of the following Morse potential | |||
<math> | |||
V(r) = D_e (1-e^{-\beta(r-r_{e})})^2 - 1. | |||
</math> | |||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 08:03, 19 March 2026
ML_MOPOT_RKM = [real]
Default: ML_MOPOT_RKM = 1.0
Description: Specifies the width parameter of the Morse potentials used as auxiliary potentials in thermodynamic integration (VCAIMAGES).
This parameters sets width parameter [math]\displaystyle{ \beta }[/math] of the following Morse potential
[math]\displaystyle{ V(r) = D_e (1-e^{-\beta(r-r_{e})})^2 - 1. }[/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_N0, ML_SRPOT_S0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_IJM