25
25
:c,image(Eqs/dihedral_quadratic.jpg)
27
This dihedral potential can be used to keep a dihedral in a predefined value.
29
The following coefficients must be defined for each dihedral type via the
30
"dihedral_coeff"_dihedral_coeff.html command as in the example above, or in
31
the data file or restart files read by the "read_data"_read_data.html
32
or "read_restart"_read_restart.html commands:
27
This dihedral potential can be used to keep a dihedral in a predefined
28
value (cis=zero, right-hand convention is used).
30
The following coefficients must be defined for each dihedral type via
31
the "dihedral_coeff"_dihedral_coeff.html command as in the example
32
above, or in the data file or restart files read by the
33
"read_data"_read_data.html or "read_restart"_read_restart.html
39
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
40
the same as the corresponding style without the suffix. They have
41
been optimized to run faster, depending on your available hardware, as
42
discussed in "Section_accelerate"_Section_accelerate.html of the
43
manual. The accelerated styles take the same arguments and should
44
produce the same results, except for round-off and precision issues.
41
Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
42
functionally the same as the corresponding style without the suffix.
43
They have been optimized to run faster, depending on your available
44
hardware, as discussed in "Section_accelerate"_Section_accelerate.html
45
of the manual. The accelerated styles take the same arguments and
46
should produce the same results, except for round-off and precision
46
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
47
packages, respectively. They are only enabled if LAMMPS was built with
48
those packages. See the "Making LAMMPS"_Section_start.html#start_3
49
section for more info.
49
These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
50
KOKKOS, USER-OMP and OPT packages, respectively. They are only
51
enabled if LAMMPS was built with those packages. See the "Making
52
LAMMPS"_Section_start.html#start_3 section for more info.
51
54
You can specify the accelerated styles explicitly in your input script
52
55
by including their suffix, or you can use the "-suffix command-line