forked from lijiext/lammps
49 lines
1.3 KiB
Plaintext
49 lines
1.3 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
|
|
|
|
:link(lws,http://lammps.sandia.gov)
|
|
:link(ld,Manual.html)
|
|
:link(lc,Commands_all.html)
|
|
|
|
:line
|
|
|
|
dihedral_style zero command :h3
|
|
|
|
[Syntax:]
|
|
|
|
dihedral_style zero {nocoeff} :pre
|
|
|
|
[Examples:]
|
|
|
|
dihedral_style zero
|
|
dihedral_style zero nocoeff
|
|
dihedral_coeff * :pre
|
|
|
|
[Description:]
|
|
|
|
Using a dihedral style of zero means dihedral forces and energies are
|
|
not computed, but the geometry of dihedral quadruplets is still
|
|
accessible to other commands.
|
|
|
|
As an example, the "compute
|
|
dihedral/local"_compute_dihedral_local.html command can be used to
|
|
compute the theta values for the list of quadruplets of dihedral atoms
|
|
listed in the data file read by the "read_data"_read_data.html
|
|
command. If no dihedral style is defined, this command cannot be
|
|
used.
|
|
|
|
The optional {nocoeff} flag allows to read data files with a DihedralCoeff
|
|
section for any dihedral style. Similarly, any dihedral_coeff commands
|
|
will only be checked for the dihedral type number and the rest ignored.
|
|
|
|
Note that the "dihedral_coeff"_dihedral_coeff.html command must be
|
|
used for all dihedral types, though no additional values are
|
|
specified.
|
|
|
|
[Restrictions:] none
|
|
|
|
[Related commands:] none
|
|
|
|
"dihedral_style none"_dihedral_none.html
|
|
|
|
[Default:] none
|