Move part of types/simple.h to utility/

[alexxy/gromacs.git] / src / gromacs / mdlib / calcvir.c

diff --git a/src/gromacs/mdlib/calcvir.c b/src/gromacs/mdlib/calcvir.c
index 395b9c38f5200c0adcf27ca83f3ec67957802a69..b3c80997470370f95778f4411412aaf2c107883e 100644 (file)
--- a/src/gromacs/mdlib/calcvir.c
+++ b/src/gromacs/mdlib/calcvir.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -45,6 +45,16 @@
 #include "mshift.h"
 #include "macros.h"
 
+#define XXXX    0
+#define XXYY    1
+#define XXZZ    2
+#define YYXX    3
+#define YYYY    4
+#define YYZZ    5
+#define ZZXX    6
+#define ZZYY    7
+#define ZZZZ    8
+
 static void upd_vir(rvec vir, real dvx, real dvy, real dvz)
 {
     vir[XX] -= 0.5*dvx;