Remove use of graph in do_force()

[alexxy/gromacs.git] / src / gromacs / domdec / mdsetup.h

diff --git a/src/gromacs/domdec/mdsetup.h b/src/gromacs/domdec/mdsetup.h
index 3752118133d7be328119aa5711b64868719ff36c..2daa293526c87283c2c22fbbd1322d49001d64ec 100644 (file)
--- a/src/gromacs/domdec/mdsetup.h
+++ b/src/gromacs/domdec/mdsetup.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2016,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018,2019,2020, 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.
@@ -50,7 +50,6 @@ struct gmx_shellfc_t;
 struct gmx_vsite_t;
 struct t_commrec;
 struct t_forcerec;
-struct t_graph;
 struct t_inputrec;
 struct t_mdatoms;
 
@@ -80,7 +79,6 @@ void make_local_shells(const t_commrec* cr, const t_mdatoms* md, gmx_shellfc_t*
  * \param[in]     top_global The global topology
  * \param[in,out] top        The local topology
  * \param[in,out] fr         The force calculation parameter/data record
- * \param[out]    graph      The molecular graph, can be NULL
  * \param[out]    mdAtoms    The MD atom data
  * \param[in,out] constr     The constraints handler, can be NULL
  * \param[in,out] vsite      The virtual site data, can be NULL
@@ -91,7 +89,6 @@ void mdAlgorithmsSetupAtomData(const t_commrec*  cr,
                                const gmx_mtop_t& top_global,
                                gmx_localtop_t*   top,
                                t_forcerec*       fr,
-                               t_graph**         graph,
                                gmx::MDAtoms*     mdAtoms,
                                gmx::Constraints* constr,
                                gmx_vsite_t*      vsite,