forked from lijiext/lammps
50 lines
1.3 KiB
Plaintext
50 lines
1.3 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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compute smd/internal/energy command :h3
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[Syntax:]
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compute ID group-ID smd/internal/energy :pre
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ID, group-ID are documented in "compute"_compute.html command
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smd/smd/internal/energy = style name of this compute command :ul
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[Examples:]
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compute 1 all smd/internal/energy :pre
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[Description:]
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Define a computation which outputs the per-particle enthalpy, i.e.,
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the sum of potential energy and heat.
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See "this PDF guide"_USER/smd/SMD_LAMMPS_userguide.pdf to use Smooth
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Mach Dynamics in LAMMPS.
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[Output Info:]
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This compute calculates a per-particle vector, which can be accessed
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by any command that uses per-particle values from a compute as input.
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See "How-to discussions, section 6.15"_Section_howto.html#howto_15 for
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an overview of LAMMPS output options.
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The per-particle vector values will be given in "units"_units.html of energy.
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[Restrictions:]
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This compute is part of the USER-SMD 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. This compute
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can only be used for particles which interact via the updated
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Lagrangian or total Lagrangian SPH pair styles.
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[Related Commands:]
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[Default:]
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