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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8137 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-05-22 15:44:11 +00:00
parent 50fd0cd254
commit 6caef69e08
2 changed files with 6 additions and 4 deletions
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5
doc/kspace_modify.html
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@ -54,8 +54,9 @@ Values for x,y,z of 0,0,0 unset the option.
<P>The <I>order</I> keyword determines how many grid spacings an atom's charge
extends when it is mapped to the FFT grid in kspace style pppm. The
default for this parameter is 5, which means each charge spans 5 grid
cells in each dimension. The larger the value of this parameter, the
smaller the FFT grid will need to be to achieve the requested
cells in each dimension. The minimum allowed setting is 2 and the
maximum allowed setting is 7. The larger the value of this parameter,
the smaller the FFT grid will need to be to achieve the requested
precision. Conversely, the smaller the order value, the larger the
grid will be. Note that there is an inherent trade-off involved: a
small grid will lower the cost of FFTs, but a large order parameter

5
doc/kspace_modify.txt
View File

@ -48,8 +48,9 @@ Values for x,y,z of 0,0,0 unset the option.
The {order} keyword determines how many grid spacings an atom's charge
extends when it is mapped to the FFT grid in kspace style pppm. The
default for this parameter is 5, which means each charge spans 5 grid
cells in each dimension. The larger the value of this parameter, the
smaller the FFT grid will need to be to achieve the requested
cells in each dimension. The minimum allowed setting is 2 and the
maximum allowed setting is 7. The larger the value of this parameter,
the smaller the FFT grid will need to be to achieve the requested
precision. Conversely, the smaller the order value, the larger the
grid will be. Note that there is an inherent trade-off involved: a
small grid will lower the cost of FFTs, but a large order parameter