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update docs for current tip4p style naming conventions

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This commit is contained in:
Axel Kohlmeyer
2013-03-05 09:59:54 +01:00
parent ceec8056fd
commit 4c6363564f
5 changed files with 9 additions and 9 deletions
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8
doc/Section_errors.txt
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@ -5780,16 +5780,16 @@ The atom style defined does not have this attribute. :dd
The atom style defined does not have this attribute. :dd
{Pair style lj/cut/coul/long/tip4p requires atom IDs} :dt
{Pair style lj/cut/tip4p/long requires atom IDs} :dt
There are no atom IDs defined in the system and the TIP4P potential
requires them to find O,H atoms with a water molecule. :dd
{Pair style lj/cut/coul/long/tip4p requires atom attribute q} :dt
{Pair style lj/cut/tip4p/long requires atom attribute q} :dt
The atom style defined does not have these attributes. :dd
{Pair style lj/cut/coul/long/tip4p requires newton pair on} :dt
{Pair style lj/cut/tip4p/long requires newton pair on} :dt
This is because the computation of constraint forces within a water
molecule adds forces to atoms owned by other processors. :dd
@ -7246,7 +7246,7 @@ Self-explanatory. :dd
Self-explanatory. :dd
{Water H epsilon must be 0.0 for pair style lj/cut/coul/long/tip4p} :dt
{Water H epsilon must be 0.0 for pair style lj/cut/tip4p/long} :dt
This is because LAMMPS does not compute the Lennard-Jones interactions
with these particles for efficiency reasons. :dd

4
doc/Section_howto.txt
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@ -493,7 +493,7 @@ angle style of {harmonic} or {charmm} should also be used.
A TIP4P model is run with LAMMPS using two commands:
"pair_style lj/cut/coul/long/tip4p"_pair_lj.html
"pair_style lj/cut/tip4p/long"_pair_lj.html
"kspace_style pppm/tip4p"_kspace_style.html :ul
Note that only a TIP4P model with long-range Coulombics is currently
@ -549,7 +549,7 @@ cutoff + 2*(OM distance), to shrink the size of the neighbor list.
This leads to slightly larger cost for the long-range calculation, so
you can test the trade-off for your model. The OM distance and the LJ
and Coulombic cutoffs are set in the "pair_style
lj/cut/coul/long/tip4p"_pair_lj.html command.
lj/cut/tip4p/long"_pair_lj.html command.
Wikipedia also has a nice article on "water
models"_http://en.wikipedia.org/wiki/Water_model.

2
doc/kspace_style.txt
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@ -120,7 +120,7 @@ or not. Its default value is 1.0e-5.
The {pppm/tip4p} style is identical to the {pppm} style except that it
adds a charge at the massless 4th site in each TIP4P water molecule.
It should be used with "pair styles"_pair_style.html with a
{long/tip4p} in their style name.
{tip4p/long} in their style name.
:line

2
doc/pair_coeff.txt
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@ -139,7 +139,7 @@ section of "this page"_Section_commands.html#cmd_5.
"pair_style lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb
"pair_style lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb
"pair_style lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulomb
"pair_style lj/cut/coul/long/tip4p"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
"pair_style lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
"pair_style lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles
"pair_style lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential
"pair_style lj/gromacs/coul/gromacs"_pair_gromacs.html - GROMACS-style LJ and Coulombic potential

2
doc/pair_style.txt
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@ -141,7 +141,7 @@ section of "this page"_Section_commands.html#cmd_5.
"pair_style lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb
"pair_style lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb
"pair_style lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulomb
"pair_style lj/cut/coul/long/tip4p"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
"pair_style lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water
"pair_style lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles
"pair_style lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential
"pair_style lj/gromacs/coul/gromacs"_pair_gromacs.html - GROMACS-style LJ and Coulombic potential