diff options
| -rw-r--r-- | data/diffraction.cl | 11 | ||||
| -rw-r--r-- | src/diffraction-gpu.c | 2 |
2 files changed, 13 insertions, 0 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl index 3442e63a..f8be5179 100644 --- a/data/diffraction.cl +++ b/data/diffraction.cl @@ -157,6 +157,17 @@ float molecule_factor(global float *intensities, global float *flags, val += lookup_flagged_intensity(intensities, flags, -h, -k, -l); #endif /* PG1BAR */ + #ifdef PGMMM + val += lookup_flagged_intensity(intensities, flags, h, k, l); + val += lookup_flagged_intensity(intensities, flags, -h, -k, l); + val += lookup_flagged_intensity(intensities, flags, -h, k, -l); + val += lookup_flagged_intensity(intensities, flags, h, -k, -l); + val += lookup_flagged_intensity(intensities, flags, h, -k, l); + val += lookup_flagged_intensity(intensities, flags, -h, k, l); + val += lookup_flagged_intensity(intensities, flags, -h, -k, -l); + val += lookup_flagged_intensity(intensities, flags, h, k, -l); + #endif /* PGMMM */ + #ifdef PG6 val += lookup_flagged_intensity(intensities, flags, h, k, l); val += lookup_flagged_intensity(intensities, flags, i, h, l); diff --git a/src/diffraction-gpu.c b/src/diffraction-gpu.c index c365cecb..b3950570 100644 --- a/src/diffraction-gpu.c +++ b/src/diffraction-gpu.c @@ -444,6 +444,8 @@ struct gpu_context *setup_gpu(int no_sfac, strncat(cflags, "-DPG6 ", 511-strlen(cflags)); } else if ( strcmp(sym, "6/m") == 0 ) { strncat(cflags, "-DPG6M ", 511-strlen(cflags)); + } else if ( strcmp(sym, "mmm") == 0 ) { + strncat(cflags, "-DPGMMM ", 511-strlen(cflags)); } else { ERROR("Sorry! Point group '%s' is not currently" " supported on the GPU." |