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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
LAMMPS to run the problem.
</P>
<P>The <I>gewald</I> keyword sets the value of the PPPM G-ewald parameter.
Without this setting, LAMMPS chooses the parameter automatically as a
function of cutoff, precision, grid spacing, etc. This means it can
vary from one simulation to the next which may not be desirable for
matching a KSpace solver to a pre-tabulated pairwise potential. This
setting can also be useful if PPPM fails to choose a good grid spacing
and G-ewald parameter automatically. If the value is set to 0.0,
LAMMPS will choose the G-ewald parameter automatically.
<P>The <I>gewald</I> keyword sets the value of the Ewald or PPPM G-ewald
parameter. Without this setting, LAMMPS chooses the parameter
automatically as a function of cutoff, precision, grid spacing, etc.
This means it can vary from one simulation to the next which may not
be desirable for matching a KSpace solver to a pre-tabulated pairwise
potential. This setting can also be useful if Ewald or PPPM fails to
choose a good grid spacing and G-ewald parameter automatically. If
the value is set to 0.0, LAMMPS will choose the G-ewald parameter
automatically.
</P>
<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

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
LAMMPS to run the problem.
The {gewald} keyword sets the value of the PPPM G-ewald parameter.
Without this setting, LAMMPS chooses the parameter automatically as a
function of cutoff, precision, grid spacing, etc. This means it can
vary from one simulation to the next which may not be desirable for
matching a KSpace solver to a pre-tabulated pairwise potential. This
setting can also be useful if PPPM fails to choose a good grid spacing
and G-ewald parameter automatically. If the value is set to 0.0,
LAMMPS will choose the G-ewald parameter automatically.
The {gewald} keyword sets the value of the Ewald or PPPM G-ewald
parameter. Without this setting, LAMMPS chooses the parameter
automatically as a function of cutoff, precision, grid spacing, etc.
This means it can vary from one simulation to the next which may not
be desirable for matching a KSpace solver to a pre-tabulated pairwise
potential. This setting can also be useful if Ewald or PPPM fails to
choose a good grid spacing and G-ewald parameter automatically. If
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
systems that are periodic in x,y but non-periodic in z - a