From c2c73fd8a3684fba9f60adb34bad9cc8324eb3c6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 14 Jun 2016 22:39:56 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15176 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/html/Manual.html | 2 +- doc/html/_sources/Manual.txt | 4 ++-- doc/html/kspace_modify.html | 8 ++++---- doc/src/Manual.txt | 4 ++-- 4 files changed, 9 insertions(+), 9 deletions(-) diff --git a/doc/html/Manual.html b/doc/html/Manual.html index 5164d5ff98..73a575369f 100644 --- a/doc/html/Manual.html +++ b/doc/html/Manual.html @@ -135,7 +135,7 @@

LAMMPS Documentation

-

8 Jun 2016 version

+

14 Jun 2016 version

Version info:

diff --git a/doc/html/_sources/Manual.txt b/doc/html/_sources/Manual.txt index 13592576f1..2f43acab9b 100644 --- a/doc/html/_sources/Manual.txt +++ b/doc/html/_sources/Manual.txt @@ -5,8 +5,8 @@ LAMMPS Documentation ==================== -8 Jun 2016 version ------------------- +14 Jun 2016 version +------------------- Version info: ------------- diff --git a/doc/html/kspace_modify.html b/doc/html/kspace_modify.html index 61d9a2d388..e821259808 100644 --- a/doc/html/kspace_modify.html +++ b/doc/html/kspace_modify.html @@ -309,7 +309,7 @@ beginning of the run to give the desired estimated error. Other cutoffs such as LJ will not be affected. If the grid is not set using the mesh command, this command will also attempt to use the optimal grid that minimizes cost using an estimate given by -(Hardy). Note that this cost estimate is not exact, somewhat +(Hardy). Note that this cost estimate is not exact, somewhat experimental, and still may not yield the optimal parameters.

The pressure/scalar keyword applies only to MSM. If this option is turned on, only the scalar pressure (i.e. (Pxx + Pyy + Pzz)/3.0) will @@ -334,7 +334,7 @@ collective operations and adequate hardware.

The diff keyword specifies the differentiation scheme used by the PPPM method to compute forces on particles given electrostatic potentials on the PPPM mesh. The ik approach is the default for -PPPM and is the original formulation used in (Hockney). It +PPPM and is the original formulation used in (Hockney). It performs differentiation in Kspace, and uses 3 FFTs to transfer each component of the computed fields back to real space for total of 4 FFTs per timestep.

@@ -369,7 +369,7 @@ speed-up the simulations but introduces some error in the force computations, as shown in (Wennberg). With none, it is assumed that no mixing rule is applicable. Splitting of the dispersion coefficients will be performed as described in -(Isele-Holder). This splitting can be influenced with +(Isele-Holder). This splitting can be influenced with the splittol keywords. Only the eigenvalues that are larger than tol compared to the largest eigenvalues are included. Using this keywords the original matrix of dispersion coefficients is approximated. This @@ -377,7 +377,7 @@ leads to faster computations, but the accuracy in the reciprocal space computations of the dispersion part is decreased.

The force/disp/real and force/disp/kspace keywords set the force accuracy for the real and space computations for the dispersion part -of pppm/disp. As shown in (Isele-Holder), optimal +of pppm/disp. As shown in (Isele-Holder), optimal performance and accuracy in the results is obtained when these values are different.

The disp/auto option controlls whether the pppm/disp is allowed to diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt index c03a913a3e..debbbeb466 100644 --- a/doc/src/Manual.txt +++ b/doc/src/Manual.txt @@ -1,7 +1,7 @@ LAMMPS Users Manual - + @@ -21,7 +21,7 @@

LAMMPS Documentation :c,h3 -8 Jun 2016 version :c,h4 +14 Jun 2016 version :c,h4 Version info: :h4