Sort all includes in src/gromacs

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

diff --git a/src/gromacs/legacyheaders/force.h b/src/gromacs/legacyheaders/force.h
index e053a0de3355a2471ccc292de60d0168abed90c3..c93e720824f5949a419153f1c01b6d4baace9b3b 100644 (file)
--- a/src/gromacs/legacyheaders/force.h
+++ b/src/gromacs/legacyheaders/force.h
@@ -39,32 +39,32 @@
 #define _force_h
 
 
-#include "typedefs.h"
-#include "types/force_flags.h"
-#include "pbc.h"
-#include "network.h"
-#include "tgroup.h"
-#include "vsite.h"
-#include "genborn.h"
-
+#include "gromacs/legacyheaders/genborn.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/tgroup.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/vsite.h"
+#include "gromacs/legacyheaders/types/force_flags.h"
+#include "gromacs/timing/wallcycle.h"
 
 #ifdef __cplusplus
 extern "C" {
 #endif
 
-void gmx_print_sepdvdl(FILE *fplog, const char *s, real v, real dvdlambda);
+struct t_graph;
+struct t_pbc;
 
 void calc_vir(int nxf, rvec x[], rvec f[], tensor vir,
               gmx_bool bScrewPBC, matrix box);
 /* Calculate virial for nxf atoms, and add it to vir */
 
 void f_calc_vir(int i0, int i1, rvec x[], rvec f[], tensor vir,
-                t_graph *g, rvec shift_vec[]);
+                struct t_graph *g, rvec shift_vec[]);
 /* Calculate virial taking periodicity into account */
 
-real RF_excl_correction(const t_forcerec *fr, t_graph *g,
+real RF_excl_correction(const t_forcerec *fr, struct t_graph *g,
                         const t_mdatoms *mdatoms, const t_blocka *excl,
-                        rvec x[], rvec f[], rvec *fshift, const t_pbc *pbc,
+                        rvec x[], rvec f[], rvec *fshift, const struct t_pbc *pbc,
                         real lambda, real *dvdlambda);
 /* Calculate the reaction-field energy correction for this node:
  * epsfac q_i q_j (k_rf r_ij^2 - c_rf)
@@ -146,9 +146,9 @@ gmx_bool nbnxn_acceleration_supported(FILE             *fplog,
  * message to fplog/stderr.
  */
 
-gmx_bool uses_simple_tables(int                 cutoff_scheme,
-                            nonbonded_verlet_t *nbv,
-                            int                 group);
+gmx_bool uses_simple_tables(int                        cutoff_scheme,
+                            struct nonbonded_verlet_t *nbv,
+                            int                        group);
 /* Returns whether simple tables (i.e. not for use with GPUs) are used
  * with the type of kernel indicated.
  */
@@ -225,7 +225,7 @@ extern void do_force(FILE *log, t_commrec *cr,
                      tensor vir_force,
                      t_mdatoms *mdatoms,
                      gmx_enerdata_t *enerd, t_fcdata *fcd,
-                     real *lambda, t_graph *graph,
+                     real *lambda, struct t_graph *graph,
                      t_forcerec *fr,
                      gmx_vsite_t *vsite, rvec mu_tot,
                      double t, FILE *field, gmx_edsam_t ed,
@@ -253,9 +253,7 @@ void ns(FILE              *fplog,
         gmx_bool           bDoLongRangeNS);
 /* Call the neighborsearcher */
 
-extern void do_force_lowlevel(FILE         *fplog,
-                              gmx_int64_t   step,
-                              t_forcerec   *fr,
+extern void do_force_lowlevel(t_forcerec   *fr,
                               t_inputrec   *ir,
                               t_idef       *idef,
                               t_commrec    *cr,
@@ -270,18 +268,20 @@ extern void do_force_lowlevel(FILE         *fplog,
                               t_fcdata     *fcd,
                               gmx_localtop_t *top,
                               gmx_genborn_t *born,
-                              t_atomtypes  *atype,
                               gmx_bool         bBornRadii,
                               matrix       box,
                               t_lambda     *fepvals,
                               real         *lambda,
-                              t_graph      *graph,
+                              struct t_graph      *graph,
                               t_blocka     *excl,
                               rvec         mu_tot[2],
                               int          flags,
                               float        *cycles_pme);
 /* Call all the force routines */
 
+void free_gpu_resources(const t_forcerec *fr,
+                        const t_commrec  *cr);
+
 #ifdef __cplusplus
 }
 #endif