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LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands -
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pair_style atm command -

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Syntax: -

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pair_style atm args = cutoff 
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Examples: -

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pair_style 2.5
-pair_coeff * * * 0.072 
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pair_style	hybrid/overlay lj/cut 6.5 atm 2.5
-pair_coeff	* * lj/cut 1.0 1.0
-pair_coeff	* * atm * 0.072 
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Description: -

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The atm style computes a 3-body Axilrod-Teller-Muto -potential for the energy E of a system of atoms as -

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where r12, r23 and r31 are the distances between the atoms, -gamma1 is included by the sides r12 and r31 -with similar definitions for gamma2 and gamma3, -nu is the three-body interaction strength (energy times distance^9 units). -

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The atm is typically used in compination with some two-body potential -using hybrid/overlay style as in an example above. -

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The calculations are not undertaken if the distances between atoms satisfy -r12 r23 r31 > curoff^3. Virtual cutoff distance based on a user defined -tolerance tol is not used. -

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The Axilrod-Teller-Muto potential file must contain entries for all the -elements listed in the pair_coeff command. It can also contain -entries for additional elements not being used in a particular -simulation; LAMMPS ignores those entries. -

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For a single-element simulation, only a single entry is required -(e.g. 1 1 1). For a two-element simulation, the file must contain 4 -entries (eg. 1 1 1, 1 1 2, 1 2 2, 2 2 2), that -specify ATM parameters for all combinations of the two elements -interacting in three-body configurations. Thus for 3 elements, 10 -entries would be required, etc. -

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Shift, table, tail correction, rRESPA info: -

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This pair style does not support the pair_modify -shift, table, and tail options. -

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This pair style can only be used via the pair keyword of the -run_style respa command. It does not support the -inner, middle, outer keywords. -

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Restrictions: -

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This pair style is part of the MANYBODY package. It is only enabled -if LAMMPS was built with that package. See -the Making LAMMPS section for more info. -

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Related commands: -

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pair_coeff -

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Default: none -

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(Axilrod) -Axilrod and Teller, J Chem Phys, 11, 299 (1943); -Muto, Nippon Sugaku Butsuri Gakkwaishi 17, 629 (1943). -

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