tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

revert change to fft3d.cpp that breaks all PPPM styles

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-08-19 20:24:03 -04:00
parent 2ed18bb841
commit ed26d8ef8f
1 changed files with 16 additions and 16 deletions
Download Patch File Download Diff File Expand all files Collapse all files

32
src/KSPACE/fft3d.cpp
View File

@ -103,18 +103,18 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
length = plan->length1;
#if defined(FFT_MKL)
if (flag == 1)
if (flag == -1)
DftiComputeForward(plan->handle_fast,data);
else
DftiComputeBackward(plan->handle_fast,data);
#elif defined(FFT_FFTW3)
if (flag == 1)
if (flag == -1)
theplan=plan->plan_fast_forward;
else
theplan=plan->plan_fast_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == 1)
if (flag == -1)
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]);
else
@ -137,18 +137,18 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
length = plan->length2;
#if defined(FFT_MKL)
if (flag == 1)
if (flag == -1)
DftiComputeForward(plan->handle_mid,data);
else
DftiComputeBackward(plan->handle_mid,data);
#elif defined(FFT_FFTW3)
if (flag == 1)
if (flag == -1)
theplan=plan->plan_mid_forward;
else
theplan=plan->plan_mid_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == 1)
if (flag == -1)
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_mid_forward,&data[offset],&data[offset]);
else
@ -171,18 +171,18 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
length = plan->length3;
#if defined(FFT_MKL)
if (flag == 1)
if (flag == -1)
DftiComputeForward(plan->handle_slow,data);
else
DftiComputeBackward(plan->handle_slow,data);
#elif defined(FFT_FFTW3)
if (flag == 1)
if (flag == -1)
theplan=plan->plan_slow_forward;
else
theplan=plan->plan_slow_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == 1)
if (flag == -1)
for (offset = 0; offset < total; offset += length)
kiss_fft(plan->cfg_slow_forward,&data[offset],&data[offset]);
else
@ -199,7 +199,7 @@ void fft_3d(FFT_DATA *in, FFT_DATA *out, int flag, struct fft_plan_3d *plan)
// scaling if required
if (flag == -1 && plan->scaled) {
if (flag == 1 && plan->scaled) {
norm = plan->norm;
num = plan->normnum;
#if defined(FFT_FFTW3)
@ -746,7 +746,7 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
// data is just an array of 0.0
#if defined(FFT_MKL)
if (flag == 1) {
if (flag == -1) {
DftiComputeForward(plan->handle_fast,data);
DftiComputeForward(plan->handle_mid,data);
DftiComputeForward(plan->handle_slow,data);
@ -757,23 +757,23 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
}
#elif defined(FFT_FFTW3)
FFTW_API(plan) theplan;
if (flag == 1)
if (flag == -1)
theplan=plan->plan_fast_forward;
else
theplan=plan->plan_fast_backward;
FFTW_API(execute_dft)(theplan,data,data);
if (flag == 1)
if (flag == -1)
theplan=plan->plan_mid_forward;
else
theplan=plan->plan_mid_backward;
FFTW_API(execute_dft)(theplan,data,data);
if (flag == 1)
if (flag == -1)
theplan=plan->plan_slow_forward;
else
theplan=plan->plan_slow_backward;
FFTW_API(execute_dft)(theplan,data,data);
#else
if (flag == 1) {
if (flag == -1) {
for (int offset = 0; offset < total1; offset += length1)
kiss_fft(plan->cfg_fast_forward,&data[offset],&data[offset]);
for (int offset = 0; offset < total2; offset += length2)
@ -793,7 +793,7 @@ void fft_1d_only(FFT_DATA *data, int nsize, int flag, struct fft_plan_3d *plan)
// scaling if required
// limit num to size of data
if (flag == -1 && plan->scaled) {
if (flag == 1 && plan->scaled) {
norm = plan->norm;
num = MIN(plan->normnum,nsize);
#if defined(FFT_FFTW3)