diff options
Diffstat (limited to 'src/diffraction-gpu.c')
| -rw-r--r-- | src/diffraction-gpu.c | 6 |
1 files changed, 2 insertions, 4 deletions
diff --git a/src/diffraction-gpu.c b/src/diffraction-gpu.c index cc7b9e5b..741f7b69 100644 --- a/src/diffraction-gpu.c +++ b/src/diffraction-gpu.c @@ -107,7 +107,7 @@ static void check_sinc_lut(struct gpu_context *gctx, int n) void get_diffraction_gpu(struct gpu_context *gctx, struct image *image, - int na, int nb, int nc, int no_sfac) + int na, int nb, int nc, UnitCell *ucell) { cl_int err; double ax, ay, az; @@ -130,9 +130,7 @@ void get_diffraction_gpu(struct gpu_context *gctx, struct image *image, return; } - cell_get_cartesian(image->molecule->cell, &ax, &ay, &az, - &bx, &by, &bz, - &cx, &cy, &cz); + cell_get_cartesian(ucell, &ax, &ay, &az, &bx, &by, &bz, &cx, &cy, &cz); cell[0] = ax; cell[1] = ay; cell[2] = az; cell[3] = bx; cell[4] = by; cell[5] = bz; cell[6] = cx; cell[7] = cy; cell[8] = cz; |