ML_LEMPPOT

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Revision as of 10:15, 16 March 2026 by Karsai (talk | contribs) (Created page with "{{DISPLAYTITLE:ML_LEMPPOT}} {{TAGDEF|ML_LEMPPOT|[logical]|.FALSE.}} Description: Enables the use of auxiliary empirical potentials for thermodynamic integration using {{TAG|VCAIMAGES}}. ---- {{TAG|ML_LEMPPOT}}=.TRUE. sets the following defaults: *{{TAG|ML_LCOUPLE}}=.TRUE. *{{TAG|ML_RCOUPLE}}=0.0 {{TAG|ML_LEMPPOT}}=.TRUE. requires {{TAG|ML_LCOUPLE}}=.TRUE., so no other values for {{TAG|ML_LCOUPLE}} are permitted. == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|...")
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ML_LEMPPOT = [logical]
Default: ML_LEMPPOT = .FALSE. 

Description: Enables the use of auxiliary empirical potentials for thermodynamic integration using VCAIMAGES.

ML_LEMPPOT=.TRUE. sets the following defaults:

ML_LEMPPOT=.TRUE. requires ML_LCOUPLE=.TRUE., so no other values for ML_LCOUPLE are permitted.

Related tags and articles

ML_LMLFF, ML_LCOUPLE, ML_ICOUPLE, ML_RCOUPLE, ML_NATOM_COUPLED, ML_EMPPOT_RCUT, ML_SRPOT_B0, ML_SRPOT_N0, ML_SRPOT_S0, ML_MOPOT_NM, ML_MOPOT_DM, ML_MOPOT_RM, ML_MOPOT_RKM, ML_MOPOT_IJM

Examples that use this tag

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