Unite code for handling listed pairs

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

diff --git a/src/gromacs/legacyheaders/nonbonded.h b/src/gromacs/legacyheaders/nonbonded.h
index 17152451bb4d3efaf237adf06f65f16b758c60f6..3b7b75e949834f1445e052354918ab1b0d1389e0 100644 (file)
--- a/src/gromacs/legacyheaders/nonbonded.h
+++ b/src/gromacs/legacyheaders/nonbonded.h
@@ -38,10 +38,7 @@
 #ifndef _nonbonded_h
 #define _nonbonded_h
 
-#include "typedefs.h"
-#include "network.h"
-#include "tgroup.h"
-#include "genborn.h"
+#include "gromacs/legacyheaders/typedefs.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -50,10 +47,6 @@ extern "C" {
 } /* fixes auto-indentation problems */
 #endif
 
-struct t_graph;
-struct t_pbc;
-
-
 void
 gmx_nonbonded_setup(t_forcerec *   fr,
                     gmx_bool       bGenericKernelOnly);
@@ -64,7 +57,8 @@ gmx_nonbonded_setup(t_forcerec *   fr,
 
 void
 gmx_nonbonded_set_kernel_pointers(FILE *       fplog,
-                                  t_nblist *   nl);
+                                  t_nblist *   nl,
+                                  gmx_bool     bElecAndVdwSwitchDiffers);
 
 
 
@@ -82,16 +76,6 @@ do_nonbonded(t_forcerec *fr,
              t_nrnb *nrnb, real *lambda, real dvdlambda[],
              int nls, int eNL, int flags);
 
-/* Calculate VdW/charge listed pair interactions (usually 1-4 interactions).
- * global_atom_index is only passed for printing error messages.
- */
-real
-do_nonbonded_listed(int ftype, int nbonds, const t_iatom iatoms[], const t_iparams iparams[],
-                    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);
-
 #ifdef __cplusplus
 }
 #endif