2006-09-22 00:22:34 +08:00
|
|
|
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
|
|
|
|
|
|
|
|
:link(lws,http://lammps.sandia.gov)
|
|
|
|
:link(ld,Manual.html)
|
|
|
|
:link(lc,Section_commands.html#comm)
|
|
|
|
|
|
|
|
:line
|
|
|
|
|
|
|
|
angle_style harmonic command :h3
|
2015-03-19 07:42:42 +08:00
|
|
|
angle_style harmonic/kk command :h3
|
2011-12-01 23:35:32 +08:00
|
|
|
angle_style harmonic/omp command :h3
|
2006-09-22 00:22:34 +08:00
|
|
|
|
|
|
|
[Syntax:]
|
|
|
|
|
|
|
|
angle_style harmonic :pre
|
|
|
|
|
|
|
|
[Examples:]
|
|
|
|
|
|
|
|
angle_style harmonic
|
|
|
|
angle_coeff 1 300.0 107.0 :pre
|
|
|
|
|
|
|
|
[Description:]
|
|
|
|
|
|
|
|
The {harmonic} angle style uses the potential
|
|
|
|
|
|
|
|
:c,image(Eqs/angle_harmonic.jpg)
|
|
|
|
|
|
|
|
where theta0 is the equilibrium value of the angle, and K is a
|
|
|
|
prefactor. Note that the usual 1/2 factor is included in K.
|
|
|
|
|
|
|
|
The following coefficients must be defined for each angle type via the
|
|
|
|
"angle_coeff"_angle_coeff.html command as in the example above, or in
|
|
|
|
the data file or restart files read by the "read_data"_read_data.html
|
|
|
|
or "read_restart"_read_restart.html commands:
|
|
|
|
|
|
|
|
K (energy/radian^2)
|
|
|
|
theta0 (degrees) :ul
|
|
|
|
|
|
|
|
Theta0 is specified in degrees, but LAMMPS converts it to radians
|
|
|
|
internally; hence the units of K are in energy/radian^2.
|
|
|
|
|
2011-12-01 23:35:32 +08:00
|
|
|
:line
|
|
|
|
|
2014-08-15 00:30:25 +08:00
|
|
|
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
|
|
|
|
functionally the same as the corresponding style without the suffix.
|
|
|
|
They have been optimized to run faster, depending on your available
|
|
|
|
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
|
|
|
|
of the manual. The accelerated styles take the same arguments and
|
|
|
|
should produce the same results, except for round-off and precision
|
|
|
|
issues.
|
|
|
|
|
|
|
|
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
|
|
|
|
KOKKOS, USER-OMP and OPT packages, respectively. They are only
|
|
|
|
enabled if LAMMPS was built with those packages. See the "Making
|
|
|
|
LAMMPS"_Section_start.html#start_3 section for more info.
|
2011-12-01 23:35:32 +08:00
|
|
|
|
|
|
|
You can specify the accelerated styles explicitly in your input script
|
|
|
|
by including their suffix, or you can use the "-suffix command-line
|
2012-01-28 07:39:14 +08:00
|
|
|
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
2011-12-01 23:35:32 +08:00
|
|
|
use the "suffix"_suffix.html command in your input script.
|
|
|
|
|
2011-12-14 04:35:35 +08:00
|
|
|
See "Section_accelerate"_Section_accelerate.html of the manual for
|
|
|
|
more instructions on how to use the accelerated styles effectively.
|
2011-12-01 23:35:32 +08:00
|
|
|
|
|
|
|
:line
|
|
|
|
|
2006-09-28 03:12:31 +08:00
|
|
|
[Restrictions:] none
|
2006-09-22 00:22:34 +08:00
|
|
|
|
2007-06-26 08:03:39 +08:00
|
|
|
This angle style can only be used if LAMMPS was built with the
|
2015-02-26 05:42:32 +08:00
|
|
|
MOLECULE package (which it is by default). See the "Making
|
2011-08-26 00:46:23 +08:00
|
|
|
LAMMPS"_Section_start.html#start_3 section for more info on packages.
|
2007-06-26 08:03:39 +08:00
|
|
|
|
2006-09-22 00:22:34 +08:00
|
|
|
[Related commands:]
|
|
|
|
|
|
|
|
"angle_coeff"_angle_coeff.html
|
|
|
|
|
|
|
|
[Default:] none
|