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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8015 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-04-12 22:22:47 +00:00
parent 41f90e6a0e
commit b82dc33475
5 changed files with 53 additions and 13 deletions
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14
doc/kspace_modify.txt
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@ -23,7 +23,8 @@ keyword = {mesh} or {order} or {gewald} or {slab} :l
rinv = PPPM G-ewald parameter
{slab} value = volfactor
volfactor = ratio of the total extended volume used in the
2d approximation compared with the volume of the simulation domain :pre
2d approximation compared with the volume of the simulation domain
{compute} value = {yes} or {no} :pre
:ule
[Examples:]
@ -95,6 +96,15 @@ must prevent particle migration beyond the initial z-bounds, typically
by providing a wall-style fix. The methodology behind the {slab}
option is explained in the paper by "(Yeh)"_#Yeh.
The {compute} keyword allows Kspace computations to be turned off,
even though a "kspace_style"_kspace_style.html is defined. This is
not useful for running a real simulation, but can be useful for
debugging purposes or for computing only partial forces that do not
include the Kspace contribution. You can also do this by simply not
defining a "kspace_style"_kspace_style.html, but a Kspace-compatible
"pair_style"_pair_style.html requires a kspace_style to be defined.
This keyword gives you that option.
[Restrictions:] none
[Related commands:]
@ -104,7 +114,7 @@ option is explained in the paper by "(Yeh)"_#Yeh.
[Default:]
The option defaults are mesh = 0 0 0, order = 5, force = -1.0, gewald
= 0.0, and slab = 1.0.
= 0.0, slab = 1.0, and compute = yes.
:line