Clean up calc_verlet_buffer_size()

[alexxy/gromacs.git] / src / gromacs / mdlib / vsite.h

diff --git a/src/gromacs/mdlib/vsite.h b/src/gromacs/mdlib/vsite.h
index b82751206a59532580233c9675c733033015e33f..b700bf6d4d7064152016188eeca15205fc2dc71c 100644 (file)
--- a/src/gromacs/mdlib/vsite.h
+++ b/src/gromacs/mdlib/vsite.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, 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.
@@ -128,6 +128,9 @@ void spread_vsite_f(const gmx_vsite_t *vsite,
  * as for instance for the PME mesh contribution.
  */
 
+/* Return the number of non-linear virtual site constructions in the system */
+int countNonlinearVsites(const gmx_mtop_t &mtop);
+
 int count_intercg_vsites(const gmx_mtop_t *mtop);
 /* Returns the number of virtual sites that cross charge groups */