ML_SRPOT_S0

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Revision as of 07:26, 17 March 2026 by Karsai (talk | contribs) (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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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).

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

Examples that use this tag

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