diff --git a/doc/Section_commands.html b/doc/Section_commands.html index da9820460f..4aabdee2da 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -521,7 +521,7 @@ description: Kspace solvers. Click on the style itself for a full description:

-
ewaldpppmpppm/tip4p +
ewaldpppmpppm/cgpppm/tip4p

These are Kspace solvers contributed by users, which can be used if @@ -536,7 +536,7 @@ built with the appropriate accelerated package.

-
pppm/cudapppm/gpu/singlepppm/gpu/double +
pppm/cudapppm/gpu
diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 500d709feb..50cdf66825 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -804,6 +804,7 @@ Kspace solvers. Click on the style itself for a full description: "ewald"_kspace_style.html, "pppm"_kspace_style.html, +"pppm/cg"_kspace_style.html, "pppm/tip4p"_kspace_style.html :tb(c=4,ea=c,w=100) These are Kspace solvers contributed by users, which can be used if @@ -816,6 +817,6 @@ built with the "appropriate accelerated package"_Section_accelerate.html. "pppm/cuda"_kspace_style.html, -"pppm/gpu/single"_kspace_style.html, -"pppm/gpu/double"_kspace_style.html :tb(c=4,ea=c) +"pppm/gpu"_kspace_style.html :tb(c=4,ea=c) + diff --git a/doc/Section_start.html b/doc/Section_start.html index 1f0fc02af8..e7f5b6f307 100644 --- a/doc/Section_start.html +++ b/doc/Section_start.html @@ -312,18 +312,16 @@ your lo-level LAMMPS Makefile, called -DFFTW2_SIZE, which will select the correct include file. In this case, For FFT_LIB you still must manually specify the correct -lsfftw or -ldfftw.

-

(3.d) NOTE: this -DFFT_SINGLE option is not yet fully implemented. -

-

The FFT_INC variable also allows for a -DFFT_SINGLE setting that will -use single-precision FFTs with PPPM, which can speed-up long-range -calulations, particularly in parallel or on a GPU. Fourier transform -and related PPPM operations are somewhat insensitive to floating point -truncation errors and thus do not always need to be performed in -double precision. Using the -DFFT_SINGLE setting trades off a little -accuracy for reduced memory use and parallel communication costs for -transposing 3d FFT data. Note that single precision FFTs have only -been tested with the FFTW3, FFTW2, MKL, and the internal KISS FFTs -options. +

(3.d) The FFT_INC variable also allows for a -DFFT_SINGLE setting that +will use single-precision FFTs with PPPM, which can speed-up +long-range calulations, particularly in parallel or on a GPU. Fourier +transform and related PPPM operations are somewhat insensitive to +floating point truncation errors and thus do not always need to be +performed in double precision. Using the -DFFT_SINGLE setting trades +off a little accuracy for reduced memory use and parallel +communication costs for transposing 3d FFT data. Note that single +precision FFTs have only been tested with the FFTW3, FFTW2, MKL, and +the internal KISS FFTs options.

(3.e) The 3 JPG variables are used to specify a JPEG library which LAMMPS uses when writing a JPEG file via the dump diff --git a/doc/Section_start.txt b/doc/Section_start.txt index 8cb8c95f8e..bd8c8100af 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -307,18 +307,16 @@ your lo-level LAMMPS Makefile, called -DFFTW2_SIZE, which will select the correct include file. In this case, For FFT_LIB you still must manually specify the correct -lsfftw or -ldfftw. -(3.d) NOTE: this -DFFT_SINGLE option is not yet fully implemented. - -The FFT_INC variable also allows for a -DFFT_SINGLE setting that will -use single-precision FFTs with PPPM, which can speed-up long-range -calulations, particularly in parallel or on a GPU. Fourier transform -and related PPPM operations are somewhat insensitive to floating point -truncation errors and thus do not always need to be performed in -double precision. Using the -DFFT_SINGLE setting trades off a little -accuracy for reduced memory use and parallel communication costs for -transposing 3d FFT data. Note that single precision FFTs have only -been tested with the FFTW3, FFTW2, MKL, and the internal KISS FFTs -options. +(3.d) The FFT_INC variable also allows for a -DFFT_SINGLE setting that +will use single-precision FFTs with PPPM, which can speed-up +long-range calulations, particularly in parallel or on a GPU. Fourier +transform and related PPPM operations are somewhat insensitive to +floating point truncation errors and thus do not always need to be +performed in double precision. Using the -DFFT_SINGLE setting trades +off a little accuracy for reduced memory use and parallel +communication costs for transposing 3d FFT data. Note that single +precision FFTs have only been tested with the FFTW3, FFTW2, MKL, and +the internal KISS FFTs options. (3.e) The 3 JPG variables are used to specify a JPEG library which LAMMPS uses when writing a JPEG file via the "dump diff --git a/doc/kspace_style.html b/doc/kspace_style.html index e5f118b8c7..46a1bd8375 100644 --- a/doc/kspace_style.html +++ b/doc/kspace_style.html @@ -15,20 +15,21 @@ 

kspace_style style value
-