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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5636 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2011-02-15 16:12:41 +00:00
parent f904d340d5
commit dbf221c336
2 changed files with 18 additions and 16 deletions
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17
doc/kspace_modify.html
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@ -66,14 +66,15 @@ small problems are run on large numbers of processors. A warning will
be generated indicating the order parameter is being reduced to allow be generated indicating the order parameter is being reduced to allow
LAMMPS to run the problem. LAMMPS to run the problem.
</P> </P>
<P>The <I>gewald</I> keyword sets the value of the PPPM G-ewald parameter. <P>The <I>gewald</I> keyword sets the value of the Ewald or PPPM G-ewald
Without this setting, LAMMPS chooses the parameter automatically as a parameter. Without this setting, LAMMPS chooses the parameter
function of cutoff, precision, grid spacing, etc. This means it can automatically as a function of cutoff, precision, grid spacing, etc.
vary from one simulation to the next which may not be desirable for This means it can vary from one simulation to the next which may not
matching a KSpace solver to a pre-tabulated pairwise potential. This be desirable for matching a KSpace solver to a pre-tabulated pairwise
setting can also be useful if PPPM fails to choose a good grid spacing potential. This setting can also be useful if Ewald or PPPM fails to
and G-ewald parameter automatically. If the value is set to 0.0, choose a good grid spacing and G-ewald parameter automatically. If
LAMMPS will choose the G-ewald parameter automatically. the value is set to 0.0, LAMMPS will choose the G-ewald parameter
automatically.
</P> </P>
<P>The <I>slab</I> keyword allows an Ewald or PPPM solver to be used for a <P>The <I>slab</I> keyword allows an Ewald or PPPM solver to be used for a
systems that are periodic in x,y but non-periodic in z - a systems that are periodic in x,y but non-periodic in z - a

17
doc/kspace_modify.txt
View File

@ -60,14 +60,15 @@ small problems are run on large numbers of processors. A warning will
be generated indicating the order parameter is being reduced to allow be generated indicating the order parameter is being reduced to allow
LAMMPS to run the problem. LAMMPS to run the problem.
The {gewald} keyword sets the value of the PPPM G-ewald parameter. The {gewald} keyword sets the value of the Ewald or PPPM G-ewald
Without this setting, LAMMPS chooses the parameter automatically as a parameter. Without this setting, LAMMPS chooses the parameter
function of cutoff, precision, grid spacing, etc. This means it can automatically as a function of cutoff, precision, grid spacing, etc.
vary from one simulation to the next which may not be desirable for This means it can vary from one simulation to the next which may not
matching a KSpace solver to a pre-tabulated pairwise potential. This be desirable for matching a KSpace solver to a pre-tabulated pairwise
setting can also be useful if PPPM fails to choose a good grid spacing potential. This setting can also be useful if Ewald or PPPM fails to
and G-ewald parameter automatically. If the value is set to 0.0, choose a good grid spacing and G-ewald parameter automatically. If
LAMMPS will choose the G-ewald parameter automatically. the value is set to 0.0, LAMMPS will choose the G-ewald parameter
automatically.
The {slab} keyword allows an Ewald or PPPM solver to be used for a The {slab} keyword allows an Ewald or PPPM solver to be used for a
systems that are periodic in x,y but non-periodic in z - a systems that are periodic in x,y but non-periodic in z - a