These are accelerated angle styles, which can be used if LAMMPS is diff --git a/doc/angle_dipole.html b/doc/angle_dipole.html index cd9251e5f2..bccf76ca42 100644 --- a/doc/angle_dipole.html +++ b/doc/angle_dipole.html @@ -67,17 +67,17 @@ or read_restart commands:
Restrictions:
This angle style can only be used if LAMMPS was built with the -"user-misc" package. See the Making LAMMPS +USER-MISC package. See the Making LAMMPS section for more info on packages.
-IMPORTANT: In the "Angles" section of the data file, the atom id 'j' -corresponding to the dipole to restrain must come before the atom id -of the reference atom 'i'. A third atom id 'k' must also be provided, -although 'k' is just a 'dummy' atom which can be any atom; it may be -useful to choose a convention (e.g., 'k'='i') and adhere to it. For -example, if id=1 for the dipolar atom to restrain, and id=2 for the -reference atom, the corresponding line in the "Angles" section of the -data file would read: X X 1 2 2 +
IMPORTANT NOTE: In the "Angles" section of the data file, the atom ID +'j' corresponding to the dipole to restrain must come before the atom +ID of the reference atom 'i'. A third atom ID 'k' must also be +provided, although 'k' is just a 'dummy' atom which can be any atom; +it may be useful to choose a convention (e.g., 'k'='i') and adhere to +it. For example, if ID=1 for the dipolar atom to restrain, and ID=2 +for the reference atom, the corresponding line in the "Angles" section +of the data file would read: X X 1 2 2
The "newton" command for intramolecular interactions must be "on" (which is the default). diff --git a/doc/angle_dipole.txt b/doc/angle_dipole.txt index 7ead336f8a..6a0ac2808d 100644 --- a/doc/angle_dipole.txt +++ b/doc/angle_dipole.txt @@ -64,17 +64,17 @@ gamma0 (degrees) :ul [Restrictions:] This angle style can only be used if LAMMPS was built with the -"user-misc" package. See the "Making LAMMPS"_Section_start.html#2_3 +USER-MISC package. See the "Making LAMMPS"_Section_start.html#2_3 section for more info on packages. -IMPORTANT: In the "Angles" section of the data file, the atom id 'j' -corresponding to the dipole to restrain must come before the atom id -of the reference atom 'i'. A third atom id 'k' must also be provided, -although 'k' is just a 'dummy' atom which can be any atom; it may be -useful to choose a convention (e.g., 'k'='i') and adhere to it. For -example, if id=1 for the dipolar atom to restrain, and id=2 for the -reference atom, the corresponding line in the "Angles" section of the -data file would read: X X 1 2 2 +IMPORTANT NOTE: In the "Angles" section of the data file, the atom ID +'j' corresponding to the dipole to restrain must come before the atom +ID of the reference atom 'i'. A third atom ID 'k' must also be +provided, although 'k' is just a 'dummy' atom which can be any atom; +it may be useful to choose a convention (e.g., 'k'='i') and adhere to +it. For example, if ID=1 for the dipolar atom to restrain, and ID=2 +for the reference atom, the corresponding line in the "Angles" section +of the data file would read: X X 1 2 2 The "newton" command for intramolecular interactions must be "on" (which is the default).