Fix random typos

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

diff --git a/src/gromacs/mdlib/calc_verletbuf.h b/src/gromacs/mdlib/calc_verletbuf.h
index e0bc6bf650ee8de5f47a69095705079821c07da3..59b6be9ef338dde3f84421c3fe1fd3eb2d96ca1e 100644 (file)
--- a/src/gromacs/mdlib/calc_verletbuf.h
+++ b/src/gromacs/mdlib/calc_verletbuf.h
@@ -1,7 +1,8 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013,2014,2015,2017,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2017 by the GROMACS development team.
+ * Copyright (c) 2018,2019,2020,2021, 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.
@@ -36,7 +37,6 @@
 #ifndef GMX_MDLIB_CALC_VERLETBUF_H
 #define GMX_MDLIB_CALC_VERLETBUF_H
 
-#include "gromacs/utility/arrayref.h"
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
@@ -45,6 +45,8 @@ struct t_inputrec;
 
 namespace gmx
 {
+template<typename>
+class ArrayRef;
 class RangePartitioning;
 } // namespace gmx
 
@@ -56,8 +58,8 @@ enum class KernelType;
 
 struct VerletbufListSetup
 {
-    int  cluster_size_i;  /* Cluster pair-list i-cluster size atom count */
-    int  cluster_size_j;  /* Cluster pair-list j-cluster size atom count */
+    int cluster_size_i; /* Cluster pair-list i-cluster size atom count */
+    int cluster_size_j; /* Cluster pair-list j-cluster size atom count */
 };
 
 
@@ -109,19 +111,19 @@ VerletbufListSetup verletbufGetSafeListSetup(ListSetupType listType);
  * \param[in] boxVolume     The volume of the unit cell
  * \param[in] inputrec      The input record
  * \param[in] nstlist       The pair list update frequency in steps (is not taken from \p inputrec)
- * \param[in] listLifetime  The lifetime of the pair-list, usually nstlist-1, but could be different for dynamic pruning
+ * \param[in] listLifetime  The lifetime of the pair-list, usually nstlist-1, but could be different
+ *                          for dynamic pruning
  * \param[in] referenceTemperature  The reference temperature for the ensemble
  * \param[in] listSetup     The pair-list setup
  * \returns The computed pair-list radius including buffer
  */
-real
-calcVerletBufferSize(const gmx_mtop_t         &mtop,
-                     real                      boxVolume,
-                     const t_inputrec         &inputrec,
-                     int                       nstlist,
-                     int                       listLifetime,
-                     real                      referenceTemperature,
-                     const VerletbufListSetup &listSetup);
+real calcVerletBufferSize(const gmx_mtop_t&         mtop,
+                          real                      boxVolume,
+                          const t_inputrec&         inputrec,
+                          int                       nstlist,
+                          int                       listLifetime,
+                          real                      referenceTemperature,
+                          const VerletbufListSetup& listSetup);
 
 /* Convenience type */
 using PartitioningPerMoltype = gmx::ArrayRef<const gmx::RangePartitioning>;
@@ -141,11 +143,10 @@ using PartitioningPerMoltype = gmx::ArrayRef<const gmx::RangePartitioning>;
  *
  * Note: This size increases (very slowly) with system size.
  */
-real
-minCellSizeForAtomDisplacement(const gmx_mtop_t       &mtop,
-                               const t_inputrec       &ir,
-                               PartitioningPerMoltype  updateGrouping,
-                               real                    chanceRequested);
+real minCellSizeForAtomDisplacement(const gmx_mtop_t&      mtop,
+                                    const t_inputrec&      ir,
+                                    PartitioningPerMoltype updateGrouping,
+                                    real                   chanceRequested);
 
 /* Struct for unique atom type for calculating the energy drift.
  * The atom displacement depends on mass and constraints.
@@ -170,9 +171,6 @@ struct atom_nonbonded_kinetic_prop_t
  *
  * Only exposed here for testing purposes.
  */
-void constrained_atom_sigma2(real                                 kT_fac,
-                             const atom_nonbonded_kinetic_prop_t *prop,
-                             real                                *sigma2_2d,
-                             real                                *sigma2_3d);
+void constrained_atom_sigma2(real kT_fac, const atom_nonbonded_kinetic_prop_t* prop, real* sigma2_2d, real* sigma2_3d);
 
 #endif