Add ForceBuffers class

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

diff --git a/src/gromacs/domdec/partition.h b/src/gromacs/domdec/partition.h
index e06138a1b7c01b9e0d938d9ab6957793804671b3..de05c4a73847b7cebcb1f9cd78892d2074085e0d 100644 (file)
--- a/src/gromacs/domdec/partition.h
+++ b/src/gromacs/domdec/partition.h
@@ -45,7 +45,8 @@
 #ifndef GMX_DOMDEC_PARTITION_H
 #define GMX_DOMDEC_PARTITION_H
 
-#include "gromacs/gpu_utils/hostallocator.h"
+#include <cstdio>
+
 #include "gromacs/math/vectypes.h"
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
@@ -64,7 +65,10 @@ class t_state;
 
 namespace gmx
 {
+template<typename>
+class ArrayRef;
 class Constraints;
+class ForceBuffers;
 class ImdSession;
 class MDAtoms;
 class MDLogger;
@@ -97,7 +101,7 @@ void print_dd_statistics(const t_commrec* cr, const t_inputrec* ir, FILE* fplog)
  * \param[in] pull_work     Pulling data
  * \param[in] state_local   Local state
  * \param[in] f             Force buffer
- * \param[in] mdatoms       MD atoms
+ * \param[in] mdAtoms       MD atoms
  * \param[in] top_local     Local topology
  * \param[in] fr            Force record
  * \param[in] vsite         Virtual sites handler
@@ -106,27 +110,27 @@ void print_dd_statistics(const t_commrec* cr, const t_inputrec* ir, FILE* fplog)
  * \param[in] wcycle        Timers
  * \param[in] bVerbose      Be verbose
  */
-void dd_partition_system(FILE*                             fplog,
-                         const gmx::MDLogger&              mdlog,
-                         int64_t                           step,
-                         const t_commrec*                  cr,
-                         gmx_bool                          bMasterState,
-                         int                               nstglobalcomm,
-                         t_state*                          state_global,
-                         const gmx_mtop_t&                 top_global,
-                         const t_inputrec*                 ir,
-                         gmx::ImdSession*                  imdSession,
-                         pull_t*                           pull_work,
-                         t_state*                          state_local,
-                         gmx::PaddedHostVector<gmx::RVec>* f,
-                         gmx::MDAtoms*                     mdatoms,
-                         gmx_localtop_t*                   top_local,
-                         t_forcerec*                       fr,
-                         gmx::VirtualSitesHandler*         vsite,
-                         gmx::Constraints*                 constr,
-                         t_nrnb*                           nrnb,
-                         gmx_wallcycle*                    wcycle,
-                         gmx_bool                          bVerbose);
+void dd_partition_system(FILE*                     fplog,
+                         const gmx::MDLogger&      mdlog,
+                         int64_t                   step,
+                         const t_commrec*          cr,
+                         gmx_bool                  bMasterState,
+                         int                       nstglobalcomm,
+                         t_state*                  state_global,
+                         const gmx_mtop_t&         top_global,
+                         const t_inputrec*         ir,
+                         gmx::ImdSession*          imdSession,
+                         pull_t*                   pull_work,
+                         t_state*                  state_local,
+                         gmx::ForceBuffers*        f,
+                         gmx::MDAtoms*             mdAtoms,
+                         gmx_localtop_t*           top_local,
+                         t_forcerec*               fr,
+                         gmx::VirtualSitesHandler* vsite,
+                         gmx::Constraints*         constr,
+                         t_nrnb*                   nrnb,
+                         gmx_wallcycle*            wcycle,
+                         gmx_bool                  bVerbose);
 
 /*! \brief Check whether bonded interactions are missing, if appropriate
  *