Sort all includes in src/gromacs

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

diff --git a/src/gromacs/legacyheaders/nonbonded.h b/src/gromacs/legacyheaders/nonbonded.h
index 248cafa09bafd25380a84a5fbc212aa6f3988795..c985396e5914ac0067f9fb6e767ad7a4d0a40d59 100644 (file)
--- a/src/gromacs/legacyheaders/nonbonded.h
+++ b/src/gromacs/legacyheaders/nonbonded.h
@@ -38,11 +38,10 @@
 #ifndef _nonbonded_h
 #define _nonbonded_h
 
-#include "typedefs.h"
-#include "pbc.h"
-#include "network.h"
-#include "tgroup.h"
-#include "genborn.h"
+#include "gromacs/legacyheaders/genborn.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/tgroup.h"
+#include "gromacs/legacyheaders/typedefs.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -52,6 +51,7 @@ extern "C" {
 #endif
 
 struct t_graph;
+struct t_pbc;
 
 
 void
@@ -64,7 +64,8 @@ gmx_nonbonded_setup(t_forcerec *   fr,
 
 void
 gmx_nonbonded_set_kernel_pointers(FILE *       fplog,
-                                  t_nblist *   nl);
+                                  t_nblist *   nl,
+                                  gmx_bool     bElecAndVdwSwitchDiffers);
 
 
 
@@ -87,7 +88,8 @@ do_nonbonded(t_forcerec *fr,
  */
 real
 do_nonbonded_listed(int ftype, int nbonds, const t_iatom iatoms[], const t_iparams iparams[],
-                    const rvec x[], rvec f[], rvec fshift[], const t_pbc *pbc, const struct t_graph *g,
+                    const rvec x[], rvec f[], rvec fshift[],
+                    const struct t_pbc *pbc, const struct t_graph *g,
                     real *lambda, real *dvdl, const t_mdatoms *md, const t_forcerec *fr,
                     gmx_grppairener_t *grppener, int *global_atom_index);