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@ -139,7 +139,7 @@ commands)
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embedded ion method (EIM), ADP, Stillinger-Weber, Tersoff, REBO, AIREBO, ReaxFF, COMB
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electron force field (eFF, AWPMD)
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coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
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mesoscopic potentials: granular, Peridynamics
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mesoscopic potentials: granular, Peridynamics, SPH
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bond potentials: harmonic, FENE, Morse, nonlinear, class 2, \
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quartic (breakable)
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angle potentials: harmonic, CHARMM, cosine, cosine/squared, cosine/periodic, \
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@ -48,10 +48,10 @@ which computes this quantity.-
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[Output info:]
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This compute calculates a scalar quantity for each atom, which can be
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accessed by any command that uses per-atom values from a compute as
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input. See "this section"_Section_howto.html#howto_15 for an overview
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of LAMMPS output options.
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This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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"this section"_Section_howto.html#howto_15 for an overview of LAMMPS
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output options.
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[Restrictions:]
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@ -59,6 +59,9 @@ This compute is part of the USER-MISC package. It is only enabled if
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LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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The per-atom vector values will be unitless since they are the
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integers defined above.
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[Related commands:]
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"compute centro/atom"_compute_centro_atom.html
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@ -28,15 +28,18 @@ The internal energy is the energy associated with the internal degrees
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of freedom of a mesoscopic particles, e.g. a Smooth-Particle
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Hydrodynamics particle.
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See "this PDF guide"_USER/sph/SPH_LAMMPS_userguide.pdf to using SPH in
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LAMMPS.
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The value of the internal energy will be 0.0 for atoms not in the
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specified compute group.
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[Output info:]
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This compute calculates a scalar quantity for each atom, which can be
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accessed by any command that uses per-atom values from a compute as
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input. See "this section"_Section_howto.html#4_15 for an overview of
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LAMMPS output options.
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This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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"this section"_Section_howto.html#4_15 for an overview of LAMMPS
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output options.
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The per-atom vector values will be in energy "units"_units.html.
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