From 2bc5a042144ea0a74d6755b964985aeb4c520360 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Mon, 26 Feb 2024 07:54:25 -0500
Subject: [PATCH] fix conversion bug when input is in radians

---
 src/DIFFRACTION/compute_xrd.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/DIFFRACTION/compute_xrd.cpp b/src/DIFFRACTION/compute_xrd.cpp
index 426248b31e..2ee23c489c 100644
--- a/src/DIFFRACTION/compute_xrd.cpp
+++ b/src/DIFFRACTION/compute_xrd.cpp
@@ -261,7 +261,7 @@ void ComputeXRD::init()
   double ang = 0.0;
 
   double convf = 360 / MY_PI;
-  if (radflag ==1) convf = 1;
+  if (radflag == 1) convf = 2;
 
   int n = 0;
   for (int m = 0; m < mmax; m++) {