From 26d71b66e413dfb58635597835cc0fe047510e01 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 18 May 2017 12:41:48 -0400
Subject: [PATCH] convert bigint values for bonds/angles/dihedrals/impropers to
 doubles when evaluating those keywords in variable expressions

---
 src/thermo.cpp | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/src/thermo.cpp b/src/thermo.cpp
index dbbeff4998..fa18b7de78 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -1145,6 +1145,22 @@ int Thermo::evaluate_keyword(char *word, double *answer)
     compute_atoms();
     dvalue = bivalue;
 
+  } else if (strcmp(word,"bonds") == 0) {
+    compute_bonds();
+    dvalue = bivalue;
+
+  } else if (strcmp(word,"angles") == 0) {
+    compute_angles();
+    dvalue = bivalue;
+
+  } else if (strcmp(word,"dihedrals") == 0) {
+    compute_dihedrals();
+    dvalue = bivalue;
+
+  } else if (strcmp(word,"impropers") == 0) {
+    compute_impropers();
+    dvalue = bivalue;
+
   } else if (strcmp(word,"temp") == 0) {
     if (!temperature)
       error->all(FLERR,"Thermo keyword in variable requires "