diff options
| author | Thomas White <taw@physics.org> | 2014-01-23 11:14:29 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-01-23 11:14:29 +0100 |
| commit | 3776f8cbfd41798a1591a1a5a337fffef3322bd5 (patch) | |
| tree | 1fefb6c27f3438bacb3a1cdcc63ba679ed3b489e /data/diffraction.cl | |
| parent | 4e172a34adca99d71a22aa4bcaccf0dd6a374400 (diff) | |
pattern_sim: Add point groups 4 and 422 for GPU
Diffstat (limited to 'data/diffraction.cl')
| -rw-r--r-- | data/diffraction.cl | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/data/diffraction.cl b/data/diffraction.cl index 78cf1cf4..76c6b9d9 100644 --- a/data/diffraction.cl +++ b/data/diffraction.cl @@ -171,6 +171,24 @@ float molecule_factor(global float *intensities, global float *flags, val += lookup_flagged_intensity(intensities, flags, h, k, -l); #endif /* PGMMM */ + #ifdef PG4 + val += lookup_flagged_intensity(intensities, flags, -k, h, 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, k, -h, l); + #endif /* PG4 */ + + #ifdef PG422 + val += lookup_flagged_intensity(intensities, flags, -k, h, 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, -k, -h, -l); + val += lookup_flagged_intensity(intensities, flags, k, h, -l); + val += lookup_flagged_intensity(intensities, flags, k, -h, -l); + val += lookup_flagged_intensity(intensities, flags, h, -k, -l); + #endif /* PG422 */ + #ifdef PG321H val += lookup_flagged_intensity(intensities, flags, h, k, l); val += lookup_flagged_intensity(intensities, flags, i, h, l); |