Move some verlet headers to mdlib

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

diff --git a/src/gromacs/legacyheaders/types/nbnxn_pairlist.h b/src/gromacs/mdlib/nbnxn_pairlist.h
similarity index 98%
rename from src/gromacs/legacyheaders/types/nbnxn_pairlist.h
rename to src/gromacs/mdlib/nbnxn_pairlist.h
index dec56d38f17f0c5dfe6f5bbe416f2dfc4d61a493..f03009d9a83e28d827b29ace352812b060f83343 100644 (file)
--- a/src/gromacs/legacyheaders/types/nbnxn_pairlist.h
+++ b/src/gromacs/mdlib/nbnxn_pairlist.h
@@ -36,7 +36,8 @@
 #ifndef _nbnxn_pairlist_h
 #define _nbnxn_pairlist_h
 
-#include "nblist.h"
+#include "thread_mpi/atomic.h"
+#include "types/nblist.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -124,7 +125,7 @@ typedef struct {
                             */
 } nbnxn_excl_t;
 
-typedef struct {
+typedef struct nbnxn_pairlist_t {
     gmx_cache_protect_t cp0;
 
     nbnxn_alloc_t      *alloc;
@@ -222,10 +223,7 @@ enum {
     ljcrGEOM, ljcrLB, ljcrNONE, ljcrNR
 };
 
-/* TODO: Remove need for forward declare */
-struct tMPI_Atomic;
-
-typedef struct {
+typedef struct nbnxn_atomdata_t {
     nbnxn_alloc_t           *alloc;
     nbnxn_free_t            *free;
     int                      ntype;           /* The number of different atom types                 */
@@ -269,7 +267,7 @@ typedef struct {
     gmx_bool                 bUseBufferFlags;        /* Use the flags or operate on all atoms     */
     nbnxn_buffer_flags_t     buffer_flags;           /* Flags for buffer zeroing+reduc.  */
     gmx_bool                 bUseTreeReduce;         /* Use tree for force reduction */
-    struct tMPI_Atomic      *syncStep;               /* Synchronization step for tree reduce */
+    tMPI_Atomic_t           *syncStep;               /* Synchronization step for tree reduce */
 } nbnxn_atomdata_t;
 
 #ifdef __cplusplus