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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2009-03-16 14:46:18 +00:00
parent de4329631f
commit 2fd543d116
2 changed files with 24 additions and 18 deletions
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21
doc/pair_dipole.html
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@ -48,15 +48,18 @@ both the LJ and Coulombic (q,p) terms. If two cutoffs are specified,
they are used as cutoffs for the LJ and Coulombic (q,p) terms
respectively.
</P>
<P>Use of this pair style requires the use of the <A HREF = "fix_nve_dipole.html">fix
nve/dipole</A> command to integrate rotation of the
dipole moments. Additionally, <A HREF = "atom_style.html">atom_style dipole</A>
should be used since it defines the point dipoles and their rotational
state. The magnitude of the dipole moment for each type of particle
can be defined by the <A HREF = "dipole.html">dipole</A> command or in the "Dipoles"
section of the data file read in by the <A HREF = "read_data.html">read_data</A>
command. Their initial orientation can be defined by the <A HREF = "set.html">set
dipole</A> command or in the "Atoms" section of the data file.
<P>Atoms with dipole moments should be integrated using the <A HREF = "fix_nve_sphere.html">fix
nve/sphere update dipole</A> command to rotate the
dipole moments. The <A HREF = "compute_temp_sphere.html">compute temp/sphere</A>
command can be used to monitor the temperature, since it includes
rotational degrees of freedom. The <A HREF = "atom_style.html">atom_style
dipole</A> command should be used since it defines the
point dipoles and their rotational state. The magnitude of the dipole
moment for each type of particle can be defined by the
<A HREF = "dipole.html">dipole</A> command or in the "Dipoles" section of the data
file read in by the <A HREF = "read_data.html">read_data</A> command. Their initial
orientation can be defined by the <A HREF = "set.html">set dipole</A> command or in
the "Atoms" section of the data file.
</P>
<P>The following coefficients must be defined for each pair of atoms
types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples

21
doc/pair_dipole.txt
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@ -45,15 +45,18 @@ both the LJ and Coulombic (q,p) terms. If two cutoffs are specified,
they are used as cutoffs for the LJ and Coulombic (q,p) terms
respectively.
Use of this pair style requires the use of the "fix
nve/dipole"_fix_nve_dipole.html command to integrate rotation of the
dipole moments. Additionally, "atom_style dipole"_atom_style.html
should be used since it defines the point dipoles and their rotational
state. The magnitude of the dipole moment for each type of particle
can be defined by the "dipole"_dipole.html command or in the "Dipoles"
section of the data file read in by the "read_data"_read_data.html
command. Their initial orientation can be defined by the "set
dipole"_set.html command or in the "Atoms" section of the data file.
Atoms with dipole moments should be integrated using the "fix
nve/sphere update dipole"_fix_nve_sphere.html command to rotate the
dipole moments. The "compute temp/sphere"_compute_temp_sphere.html
command can be used to monitor the temperature, since it includes
rotational degrees of freedom. The "atom_style
dipole"_atom_style.html command should be used since it defines the
point dipoles and their rotational state. The magnitude of the dipole
moment for each type of particle can be defined by the
"dipole"_dipole.html command or in the "Dipoles" section of the data
file read in by the "read_data"_read_data.html command. Their initial
orientation can be defined by the "set dipole"_set.html command or in
the "Atoms" section of the data file.
The following coefficients must be defined for each pair of atoms
types via the "pair_coeff"_pair_coeff.html command as in the examples