diff options
| author | Thomas White <taw@physics.org> | 2023-01-16 14:44:06 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2023-01-16 15:08:30 +0100 |
| commit | 2f097fb86bcde6420d23988885f4c23776a934b7 (patch) | |
| tree | 74f49c1de661606f13b5ac6b7ade940cd773a882 | |
| parent | b3be317e1f147298da295ebcb423f6d26d4a830c (diff) | |
partial_sim: Add quaternion to stream
| -rw-r--r-- | src/partial_sim.c | 4 |
1 files changed, 4 insertions, 0 deletions
diff --git a/src/partial_sim.c b/src/partial_sim.c index 3fd8cf4c..d934e9f4 100644 --- a/src/partial_sim.c +++ b/src/partial_sim.c @@ -410,8 +410,12 @@ static void run_job(void *vwargs, int cookie) if ( wargs->template_cell == NULL ) { /* Set up a random orientation */ struct quaternion orientation; + char tmp[128]; orientation = random_quaternion(qargs->rngs[cookie]); crystal_set_cell(cr, cell_rotate(qargs->cell, orientation)); + snprintf(tmp, 127, "quaternion = %f %f %f %f", + orientation.w, orientation.x, orientation.y, orientation.z); + crystal_add_notes(cr, tmp); } else { crystal_set_cell(cr, wargs->template_cell); } |