From 084012eac669b6750d2f856bc19f8caf4d330ac5 Mon Sep 17 00:00:00 2001
From: Florian Weik <fweik@icp.uni-stuttgart.de>
Date: Fri, 15 Feb 2019 22:19:33 +0100
Subject: [PATCH 1/2] core: Make tabulated pair IA not crash if distance is too
 small

---
 src/core/TabulatedPotential.hpp         | 9 +++++----
 src/core/utils/linear_interpolation.hpp | 1 +
 2 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/src/core/TabulatedPotential.hpp b/src/core/TabulatedPotential.hpp
index 282473ca6c0..3177df044ce 100644
--- a/src/core/TabulatedPotential.hpp
+++ b/src/core/TabulatedPotential.hpp
@@ -24,6 +24,7 @@ along with this program.  If not, see <http://www.gnu.org/licenses/>.
 
 #include <boost/serialization/access.hpp>
 #include <boost/serialization/vector.hpp>
+#include <boost/algorithm/clamp.hpp>
 
 #include <cassert>
 #include <vector>
@@ -36,13 +37,13 @@ struct TabulatedPotential {
   std::vector<double> energy_tab;
 
   double force(double x) const {
-    assert(x <= maxval);
-    return Utils::linear_interpolation(force_tab, invstepsize, minval, x);
+    using boost::algorithm::clamp;
+    return Utils::linear_interpolation(force_tab, invstepsize, minval, clamp(x, minval, maxval));
   }
 
   double energy(double x) const {
-    assert(x <= maxval);
-    return Utils::linear_interpolation(energy_tab, invstepsize, minval, x);
+    using boost::algorithm::clamp;
+    return Utils::linear_interpolation(energy_tab, invstepsize, minval, clamp(x, minval, maxval));
   }
 
   double cutoff() const { return maxval; }
diff --git a/src/core/utils/linear_interpolation.hpp b/src/core/utils/linear_interpolation.hpp
index 8bf96436f94..cedc691a18f 100644
--- a/src/core/utils/linear_interpolation.hpp
+++ b/src/core/utils/linear_interpolation.hpp
@@ -27,6 +27,7 @@ T linear_interpolation(Container const &table, T hi, T offset, T x) {
   auto const dind = (x - offset) * hi;
   auto const ind = static_cast<int>(dind);
   assert(ind <= dind);
+  assert((ind >= 0) and (ind < table.size()));
   auto const dx = dind - ind;
 
   /* linear interpolation between data points */

From d8c053a9bbf92623c7277897ea0fc1e0d022069d Mon Sep 17 00:00:00 2001
From: Florian Weik <fweik@icp.uni-stuttgart.de>
Date: Fri, 15 Feb 2019 22:29:43 +0100
Subject: [PATCH 2/2] Formatting

---
 src/core/TabulatedPotential.hpp | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/src/core/TabulatedPotential.hpp b/src/core/TabulatedPotential.hpp
index 3177df044ce..f867b1e0f57 100644
--- a/src/core/TabulatedPotential.hpp
+++ b/src/core/TabulatedPotential.hpp
@@ -22,9 +22,9 @@ along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #include "utils/linear_interpolation.hpp"
 #include "utils/serialization/List.hpp"
 
+#include <boost/algorithm/clamp.hpp>
 #include <boost/serialization/access.hpp>
 #include <boost/serialization/vector.hpp>
-#include <boost/algorithm/clamp.hpp>
 
 #include <cassert>
 #include <vector>
@@ -38,12 +38,14 @@ struct TabulatedPotential {
 
   double force(double x) const {
     using boost::algorithm::clamp;
-    return Utils::linear_interpolation(force_tab, invstepsize, minval, clamp(x, minval, maxval));
+    return Utils::linear_interpolation(force_tab, invstepsize, minval,
+                                       clamp(x, minval, maxval));
   }
 
   double energy(double x) const {
     using boost::algorithm::clamp;
-    return Utils::linear_interpolation(energy_tab, invstepsize, minval, clamp(x, minval, maxval));
+    return Utils::linear_interpolation(energy_tab, invstepsize, minval,
+                                       clamp(x, minval, maxval));
   }
 
   double cutoff() const { return maxval; }