*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
+ * Copyright (c) 2013,2014,2015,2016,2017 The GROMACS development team.
* Copyright (c) 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
gmx::ArrayRef<const std::string> tabbfnm,
real print_force);
+/*! \brief Check whether molecules are ever distributed over PBC boundaries
+ *
+ * Note: This covers only the non-DD case. For DD runs, domdec.h offers an
+ * equivalent dd_bonded_molpbc(...) function.
+ *
+ * \param[in] ir Inputrec structure
+ * \param[in] mtop Molecular topology
+ * \param[in] mdlog File for printing
+ */
+bool areMoleculesDistributedOverPbc(const t_inputrec& ir, const gmx_mtop_t& mtop, const gmx::MDLogger& mdlog);
+
/*! \brief Divide exclusions over threads
*
* Set the exclusion load for the local exclusions and possibly threads