Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / legacyheaders / vsite.h

diff --git a/src/gromacs/legacyheaders/vsite.h b/src/gromacs/legacyheaders/vsite.h
index 2ccc6ed1f9988681711f79259165249ad60ca049..6cbecbe391848c82ca8ece2979f755eff43458da 100644 (file)
--- a/src/gromacs/legacyheaders/vsite.h
+++ b/src/gromacs/legacyheaders/vsite.h
@@ -39,7 +39,9 @@
 #define _vsite_h
 
 #include <stdio.h>
-#include "typedefs.h"
+
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/pbcutil/ishift.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -64,6 +66,8 @@ typedef struct {
     int                 th_ind_nalloc;        /* Size of th_ind                          */
 } gmx_vsite_t;
 
+struct t_graph;
+
 void construct_vsites(gmx_vsite_t *vsite,
                       rvec x[],
                       real dt, rvec v[],
@@ -91,7 +95,7 @@ void spread_vsite_f(gmx_vsite_t *vsite,
                     rvec x[], rvec f[], rvec *fshift,
                     gmx_bool VirCorr, matrix vir,
                     t_nrnb *nrnb, t_idef *idef,
-                    int ePBC, gmx_bool bMolPBC, t_graph *g, matrix box,
+                    int ePBC, gmx_bool bMolPBC, struct t_graph *g, matrix box,
                     t_commrec *cr);
 /* Spread the force operating on the vsite atoms on the surrounding atoms.
  * If fshift!=NULL also update the shift forces.
@@ -111,6 +115,7 @@ gmx_vsite_t *init_vsite(gmx_mtop_t *mtop, t_commrec *cr,
  */
 
 void split_vsites_over_threads(const t_ilist   *ilist,
+                               const t_iparams *ip,
                                const t_mdatoms *mdatoms,
                                gmx_bool         bLimitRange,
                                gmx_vsite_t     *vsite);