From 2f097fb86bcde6420d23988885f4c23776a934b7 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Mon, 16 Jan 2023 14:44:06 +0100
Subject: partial_sim: Add quaternion to stream

---
 src/partial_sim.c | 4 ++++
 1 file changed, 4 insertions(+)

(limited to 'src')

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);
 	}
-- 
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