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@ -309,7 +309,7 @@ beginning of the run to give the desired estimated error. Other
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cutoffs such as LJ will not be affected. If the grid is not set using
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cutoffs such as LJ will not be affected. If the grid is not set using
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the <em>mesh</em> command, this command will also attempt to use the optimal
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the <em>mesh</em> command, this command will also attempt to use the optimal
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grid that minimizes cost using an estimate given by
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grid that minimizes cost using an estimate given by
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<a class="reference internal" href="#hardy"><span class="std std-ref">(Hardy)</span></a>. Note that this cost estimate is not exact, somewhat
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<a class="reference internal" href="kspace_style.html#hardy"><span class="std std-ref">(Hardy)</span></a>. Note that this cost estimate is not exact, somewhat
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experimental, and still may not yield the optimal parameters.</p>
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experimental, and still may not yield the optimal parameters.</p>
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<p>The <em>pressure/scalar</em> keyword applies only to MSM. If this option is
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<p>The <em>pressure/scalar</em> keyword applies only to MSM. If this option is
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turned on, only the scalar pressure (i.e. (Pxx + Pyy + Pzz)/3.0) will
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turned on, only the scalar pressure (i.e. (Pxx + Pyy + Pzz)/3.0) will
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@ -334,7 +334,7 @@ collective operations and adequate hardware.</p>
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<p>The <em>diff</em> keyword specifies the differentiation scheme used by the
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<p>The <em>diff</em> keyword specifies the differentiation scheme used by the
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PPPM method to compute forces on particles given electrostatic
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PPPM method to compute forces on particles given electrostatic
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potentials on the PPPM mesh. The <em>ik</em> approach is the default for
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potentials on the PPPM mesh. The <em>ik</em> approach is the default for
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PPPM and is the original formulation used in <a class="reference internal" href="#hockney"><span class="std std-ref">(Hockney)</span></a>. It
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PPPM and is the original formulation used in <a class="reference internal" href="kspace_style.html#hockney"><span class="std std-ref">(Hockney)</span></a>. It
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performs differentiation in Kspace, and uses 3 FFTs to transfer each
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performs differentiation in Kspace, and uses 3 FFTs to transfer each
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component of the computed fields back to real space for total of 4
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component of the computed fields back to real space for total of 4
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FFTs per timestep.</p>
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FFTs per timestep.</p>
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@ -369,7 +369,7 @@ speed-up the simulations but introduces some error in the force
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computations, as shown in <a class="reference internal" href="#wennberg"><span class="std std-ref">(Wennberg)</span></a>. With <em>none</em>, it is
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computations, as shown in <a class="reference internal" href="#wennberg"><span class="std std-ref">(Wennberg)</span></a>. With <em>none</em>, it is
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assumed that no mixing rule is applicable. Splitting of the dispersion
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assumed that no mixing rule is applicable. Splitting of the dispersion
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coefficients will be performed as described in
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coefficients will be performed as described in
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<a class="reference internal" href="#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>. This splitting can be influenced with
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<a class="reference internal" href="kspace_style.html#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>. This splitting can be influenced with
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the <em>splittol</em> keywords. Only the eigenvalues that are larger than tol
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the <em>splittol</em> keywords. Only the eigenvalues that are larger than tol
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compared to the largest eigenvalues are included. Using this keywords
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compared to the largest eigenvalues are included. Using this keywords
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the original matrix of dispersion coefficients is approximated. This
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the original matrix of dispersion coefficients is approximated. This
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@ -377,7 +377,7 @@ leads to faster computations, but the accuracy in the reciprocal space
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computations of the dispersion part is decreased.</p>
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computations of the dispersion part is decreased.</p>
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<p>The <em>force/disp/real</em> and <em>force/disp/kspace</em> keywords set the force
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<p>The <em>force/disp/real</em> and <em>force/disp/kspace</em> keywords set the force
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accuracy for the real and space computations for the dispersion part
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accuracy for the real and space computations for the dispersion part
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of pppm/disp. As shown in <a class="reference internal" href="#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>, optimal
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of pppm/disp. As shown in <a class="reference internal" href="kspace_style.html#isele-holder"><span class="std std-ref">(Isele-Holder)</span></a>, optimal
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performance and accuracy in the results is obtained when these values
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performance and accuracy in the results is obtained when these values
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are different.</p>
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are different.</p>
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<p>The <em>disp/auto</em> option controlls whether the pppm/disp is allowed to
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<p>The <em>disp/auto</em> option controlls whether the pppm/disp is allowed to
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sjplimp