forked from lijiext/lammps
update documentation for USER-MEAMC package and pair style meam/c
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@ -1039,6 +1039,7 @@ package"_Section_start.html#start_3.
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"lj/sdk/coul/long (go)"_pair_sdk.html,
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"lj/sdk/coul/msm (o)"_pair_sdk.html,
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"lj/sf (o)"_pair_lj_sf.html,
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"meam/c"_pair_meam.html,
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"meam/spline (o)"_pair_meam_spline.html,
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"meam/sw/spline"_pair_meam_sw_spline.html,
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"mgpt"_pair_mgpt.html,
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@ -121,6 +121,7 @@ Package, Description, Doc page, Example, Library
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"USER-INTEL"_#USER-INTEL, optimized Intel CPU and KNL styles,"Section 5.3.2"_accelerate_intel.html, WWW bench, -
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"USER-LB"_#USER-LB, Lattice Boltzmann fluid,"fix lb/fluid"_fix_lb_fluid.html, USER/lb, -
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"USER-MANIFOLD"_#USER-MANIFOLD, motion on 2d surfaces,"fix manifoldforce"_fix_manifoldforce.html, USER/manifold, -
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"USER-MEAMC"_#USER-MEAMC, modified EAM potential (C++), "pair_style meam/c"_pair_meam.html, meam, -
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"USER-MGPT"_#USER-MGPT, fast MGPT multi-ion potentials, "pair_style mgpt"_pair_mgpt.html, USER/mgpt, -
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"USER-MISC"_#USER-MISC, single-file contributions, USER-MISC/README, USER/misc, -
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"USER-MOLFILE"_#USER-MOLFILE, "VMD"_vmd_home molfile plug-ins,"dump molfile"_dump_molfile.html, -, ext
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@ -2051,6 +2052,36 @@ http://lammps.sandia.gov/movies.html#manifold :ul
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:line
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USER-MEAMC package :link(USER-MEAMC),h4
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[Contents:]
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A pair style for the modified embedded atom (MEAM) potential
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translated from the Fortran version in the "MEAM"_MEAM package
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to plain C++. In contrast to the MEAM package, no library
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needs to be compiled and the pair style can be instantiated
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multiple times.
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[Author:] Sebastian Huetter, (Otto-von-Guericke University Magdeburg)
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based on the work of Greg Wagner (Northwestern U) while at Sandia.
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[Install or un-install:]
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make yes-user-meamc
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make machine :pre
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make no-user-meamc
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make machine :pre
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[Supporting info:]
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src/USER-MEAMC: filenames -> commands
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src/USER-MEAMC/README
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"pair meam/c"_pair_meam.html
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examples/meam :ul
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:line
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USER-MOLFILE package :link(USER-MOLFILE),h4
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[Contents:]
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@ -7,10 +7,13 @@
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:line
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pair_style meam command :h3
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pair_style meam/c command :h3
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[Syntax:]
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pair_style meam :pre
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pair_style style :pre
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style = {meam} or {meam/c}
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[Examples:]
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@ -30,7 +33,8 @@ using modified embedded-atom method (MEAM) potentials
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"EAM potentials"_pair_eam.html which adds angular forces. It is
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thus suitable for modeling metals and alloys with fcc, bcc, hcp and
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diamond cubic structures, as well as covalently bonded materials like
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silicon and carbon.
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silicon and carbon. Style {meam/c} is a translation of the {meam} code
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from (mostly) Fortran to C++. It is functionally equivalent to {meam}.
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In the MEAM formulation, the total energy E of a system of atoms is
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given by:
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@ -331,10 +335,14 @@ This pair style can only be used via the {pair} keyword of the
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[Restrictions:]
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This style is part of the MEAM package. It is only enabled if LAMMPS
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The {meam} style is part of the MEAM package. It is only enabled if LAMMPS
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was built with that package, which also requires the MEAM library be
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built and linked with LAMMPS. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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built and linked with LAMMPS.
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The {meam/c} style is provided in the USER-MEAMC package. It is only enabled
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if LAMMPS was built with that package. In contrast to the {meam} style,
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{meam/c} does not require a separate library to be compiled and it can be
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instantiated multiple times in a "hybrid"_pair_hybrid.html pair style.
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See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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@ -31,6 +31,11 @@
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/fix_*manifold*.cpp
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/fix_*manifold*.h
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/meam*.h
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/meam*.cpp
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/pair_meamc.cpp
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/pair_meamc.h
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/fix_qeq*.cpp
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/fix_qeq*.h
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