From 9e628536404c74d098ec4f7c39b6f0403ce9736d Mon Sep 17 00:00:00 2001
From: Christoph Junghans <junghans@lanl.gov>
Date: Thu, 8 Jul 2021 10:34:02 -0600
Subject: [PATCH] fix pos scaling (ang2nm) in lammps data reader

---
 CHANGELOG.rst                             | 1 +
 src/libcsg/modules/io/lammpsdatareader.cc | 2 +-
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/CHANGELOG.rst b/CHANGELOG.rst
index 5fcba7c9d9..8f2748ce27 100644
--- a/CHANGELOG.rst
+++ b/CHANGELOG.rst
@@ -5,6 +5,7 @@ Version 2021.1 (released XX.03.21)
 ==================================
 
 -  format code with clang-12 and drop gmx2020 builds (#691)
+-  fix pos scaling (ang2nm) in lammps data reader (#697)
 
 Version 2021 (released 13.03.21)
 ================================
diff --git a/src/libcsg/modules/io/lammpsdatareader.cc b/src/libcsg/modules/io/lammpsdatareader.cc
index 768c2d615a..f1c5d34451 100644
--- a/src/libcsg/modules/io/lammpsdatareader.cc
+++ b/src/libcsg/modules/io/lammpsdatareader.cc
@@ -496,7 +496,7 @@ void LAMMPSDataReader::ReadAtoms_(Topology &top) {
     }
 
     Eigen::Vector3d xyz_pos(x, y, z);
-    b->setPos(xyz_pos);
+    b->setPos(xyz_pos * tools::conv::ang2nm);
   }
 
   if (top.BeadCount() != numberOf_["atoms"]) {