ML MOPOT NM: Difference between revisions
(Created page with "{{DISPLAYTITLE:ML_MOPOT_NM}} {{TAGDEF|ML_MOPOT_NM|[integer]|0}} Description: Specifies the number of pairs of a Morse potential used as an auxiliary potential in thermodynamic integration ({{TAG|VCAIMAGES}}). ---- Setting this tag to 0 switches Morse potentials off. == 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}}, {{T...") |
No edit summary |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 2: | Line 2: | ||
{{TAGDEF|ML_MOPOT_NM|[integer]|0}} | {{TAGDEF|ML_MOPOT_NM|[integer]|0}} | ||
Description: Specifies the number of | Description: Specifies the number of Morse-potential pairs used as auxiliary potentials in thermodynamic integration ({{TAG|VCAIMAGES}}). | ||
---- | ---- | ||
This parameter sets the number of pairs for which the following Morse potential is used | |||
<math> | |||
V(r) = D_e (1-e^{-\beta(r-r_{e})})^2 - 1. | |||
</math> | |||
Setting this tag to 0 switches Morse potentials off. | Setting this tag to 0 switches Morse potentials off. | ||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 08:26, 19 March 2026
ML_MOPOT_NM = [integer]
Default: ML_MOPOT_NM = 0
Description: Specifies the number of Morse-potential pairs used as auxiliary potentials in thermodynamic integration (VCAIMAGES).
This parameter sets the number of pairs for which the following Morse potential is used
[math]\displaystyle{ V(r) = D_e (1-e^{-\beta(r-r_{e})})^2 - 1. }[/math]
Setting this tag to 0 switches Morse potentials off.
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_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM