diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt index d019074e3f..9bfe918137 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 -17 Feb 2017 version :c,h4 +13 Feb 2017 version :c,h4 Version info: :h4 diff --git a/src/KSPACE/fft3d.cpp b/src/KSPACE/fft3d.cpp index 8f65143d6c..a332f435e1 100644 --- a/src/KSPACE/fft3d.cpp +++ b/src/KSPACE/fft3d.cpp @@ -78,7 +78,7 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan) #if defined(FFT_FFTW3) FFTW_API(plan) theplan; #else - // nothing to do for other FFTs. + // nothing to do for other FFTs #endif // pre-remap to prepare for 1st FFTs if needed @@ -87,8 +87,8 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan) if (plan->pre_plan) { if (plan->pre_target == 0) copy = out; else copy = plan->copy; - remap_3d((FFT_SCALAR *) in, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch, - plan->pre_plan); + remap_3d((FFT_SCALAR *) in, (FFT_SCALAR *) copy, + (FFT_SCALAR *) plan->scratch, plan->pre_plan); data = copy; } else @@ -129,8 +129,8 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan) if (plan->mid1_target == 0) copy = out; else copy = plan->copy; - remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch, - plan->mid1_plan); + remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, + (FFT_SCALAR *) plan->scratch, plan->mid1_plan); data = copy; // 1d FFTs along mid axis @@ -168,8 +168,8 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan) if (plan->mid2_target == 0) copy = out; else copy = plan->copy; - remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, (FFT_SCALAR *) plan->scratch, - plan->mid2_plan); + remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) copy, + (FFT_SCALAR *) plan->scratch, plan->mid2_plan); data = copy; // 1d FFTs along slow axis @@ -206,8 +206,8 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan) // destination is always out if (plan->post_plan) - remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) out, (FFT_SCALAR *) plan->scratch, - plan->post_plan); + remap_3d((FFT_SCALAR *) data, (FFT_SCALAR *) out, + (FFT_SCALAR *) plan->scratch, plan->post_plan); // scaling if required if (flag == 1 && plan->scaled) { @@ -337,7 +337,8 @@ struct fft_plan_3d *fft_3d_create_plan( first_ilo,first_ihi,first_jlo,first_jhi, first_klo,first_khi, second_ilo,second_ihi,second_jlo,second_jhi, - second_klo,second_khi,2,1,0,FFT_PRECISION,usecollective); + second_klo,second_khi,2,1,0,FFT_PRECISION, + usecollective); if (plan->mid1_plan == NULL) return NULL; // 1d FFTs along mid axis @@ -413,7 +414,8 @@ struct fft_plan_3d *fft_3d_create_plan( // configure plan memory pointers and allocate work space // out_size = amount of memory given to FFT by user - // first/second/third_size = amount of memory needed after pre,mid1,mid2 remaps + // first/second/third_size = + // amount of memory needed after pre,mid1,mid2 remaps // copy_size = amount needed internally for extra copy of data // scratch_size = amount needed internally for remap scratch space // for each remap: @@ -482,22 +484,28 @@ struct fft_plan_3d *fft_3d_create_plan( // and scaling normalization #if defined(FFT_MKL) - DftiCreateDescriptor( &(plan->handle_fast), FFT_MKL_PREC, DFTI_COMPLEX, 1, (MKL_LONG)nfast); - DftiSetValue(plan->handle_fast, DFTI_NUMBER_OF_TRANSFORMS, (MKL_LONG)plan->total1/nfast); + DftiCreateDescriptor( &(plan->handle_fast), FFT_MKL_PREC, DFTI_COMPLEX, 1, + (MKL_LONG)nfast); + DftiSetValue(plan->handle_fast, DFTI_NUMBER_OF_TRANSFORMS, + (MKL_LONG)plan->total1/nfast); DftiSetValue(plan->handle_fast, DFTI_PLACEMENT,DFTI_INPLACE); DftiSetValue(plan->handle_fast, DFTI_INPUT_DISTANCE, (MKL_LONG)nfast); DftiSetValue(plan->handle_fast, DFTI_OUTPUT_DISTANCE, (MKL_LONG)nfast); DftiCommitDescriptor(plan->handle_fast); - DftiCreateDescriptor( &(plan->handle_mid), FFT_MKL_PREC, DFTI_COMPLEX, 1, (MKL_LONG)nmid); - DftiSetValue(plan->handle_mid, DFTI_NUMBER_OF_TRANSFORMS, (MKL_LONG)plan->total2/nmid); + DftiCreateDescriptor( &(plan->handle_mid), FFT_MKL_PREC, DFTI_COMPLEX, 1, + (MKL_LONG)nmid); + DftiSetValue(plan->handle_mid, DFTI_NUMBER_OF_TRANSFORMS, + (MKL_LONG)plan->total2/nmid); DftiSetValue(plan->handle_mid, DFTI_PLACEMENT,DFTI_INPLACE); DftiSetValue(plan->handle_mid, DFTI_INPUT_DISTANCE, (MKL_LONG)nmid); DftiSetValue(plan->handle_mid, DFTI_OUTPUT_DISTANCE, (MKL_LONG)nmid); DftiCommitDescriptor(plan->handle_mid); - DftiCreateDescriptor( &(plan->handle_slow), FFT_MKL_PREC, DFTI_COMPLEX, 1, (MKL_LONG)nslow); - DftiSetValue(plan->handle_slow, DFTI_NUMBER_OF_TRANSFORMS, (MKL_LONG)plan->total3/nslow); + DftiCreateDescriptor( &(plan->handle_slow), FFT_MKL_PREC, DFTI_COMPLEX, 1, + (MKL_LONG)nslow); + DftiSetValue(plan->handle_slow, DFTI_NUMBER_OF_TRANSFORMS, + (MKL_LONG)plan->total3/nslow); DftiSetValue(plan->handle_slow, DFTI_PLACEMENT,DFTI_INPLACE); DftiSetValue(plan->handle_slow, DFTI_INPUT_DISTANCE, (MKL_LONG)nslow); DftiSetValue(plan->handle_slow, DFTI_OUTPUT_DISTANCE, (MKL_LONG)nslow); diff --git a/src/version.h b/src/version.h index ed1b447184..10c42e4de7 100644 --- a/src/version.h +++ b/src/version.h @@ -1 +1 @@ -#define LAMMPS_VERSION "17 Feb 2017" +#define LAMMPS_VERSION "13 Feb 2017"