Remove some include order dependencies

[alexxy/gromacs.git] / src / gromacs / legacyheaders / types / forcerec.h

diff --git a/src/gromacs/legacyheaders/types/forcerec.h b/src/gromacs/legacyheaders/types/forcerec.h
index aa0a976ae4ed87343869c8fe08159721a5f26e0c..07fc2be29f521e5b502136e28dc0df4c88aff97a 100644 (file)
--- a/src/gromacs/legacyheaders/types/forcerec.h
+++ b/src/gromacs/legacyheaders/types/forcerec.h
@@ -35,13 +35,16 @@
  * the research papers on the package. Check out http://www.gromacs.org.
  */
 
-#include "ns.h"
-#include "genborn.h"
-#include "qmmmrec.h"
-#include "idef.h"
-#include "nb_verlet.h"
-#include "interaction_const.h"
-#include "hw_info.h"
+#ifndef GMX_LEGACYHEADERS_TYPES_FORCEREC_H
+#define GMX_LEGACYHEADERS_TYPES_FORCEREC_H
+
+#include "gromacs/legacyheaders/types/enums.h"
+#include "gromacs/legacyheaders/types/ns.h"
+#include "gromacs/legacyheaders/types/genborn.h"
+#include "gromacs/legacyheaders/types/qmmmrec.h"
+#include "../../topology/idef.h"
+#include "gromacs/legacyheaders/types/interaction_const.h"
+#include "gromacs/legacyheaders/types/hw_info.h"
 
 #ifdef __cplusplus
 extern "C" {
@@ -52,8 +55,7 @@ extern "C" {
 
 /* Abstract type for PME that is defined only in the routine that use them. */
 typedef struct gmx_pme *gmx_pme_t;
-
-
+struct nonbonded_verlet_t;
 
 /* Structure describing the data in a single table */
 typedef struct
@@ -295,7 +297,6 @@ typedef struct {
     real     sc_r_power;
     real     sc_sigma6_def;
     real     sc_sigma6_min;
-    gmx_bool bSepDVDL;
 
     /* NS Stuff */
     int  eeltype;
@@ -315,13 +316,13 @@ typedef struct {
     rvec        *shift_vec;
 
     /* The neighborlists including tables */
-    int                 nnblists;
-    int                *gid2nblists;
-    t_nblists          *nblists;
+    int                        nnblists;
+    int                       *gid2nblists;
+    t_nblists                 *nblists;
 
-    int                 cutoff_scheme; /* group- or Verlet-style cutoff */
-    gmx_bool            bNonbonded;    /* true if nonbonded calculations are *not* turned off */
-    nonbonded_verlet_t *nbv;
+    int                        cutoff_scheme; /* group- or Verlet-style cutoff */
+    gmx_bool                   bNonbonded;    /* true if nonbonded calculations are *not* turned off */
+    struct nonbonded_verlet_t *nbv;
 
     /* The wall tables (if used) */
     int            nwall;
@@ -340,6 +341,8 @@ typedef struct {
     gmx_bool bTwinRange;
     int      nlr;
     rvec    *f_twin;
+    /* Constraint virial correction for multiple time stepping */
+    tensor   vir_twin_constr;
 
     /* Forces that should not enter into the virial summation:
      * PPPM/PME/Ewald/posres
@@ -374,6 +377,7 @@ typedef struct {
     int      ntype; /* Number of atom types */
     gmx_bool bBHAM;
     real    *nbfp;
+    real    *ljpme_c6grid; /* C6-values used on grid in LJPME */
 
     /* Energy group pair flags */
     int *egp_flags;
@@ -496,3 +500,4 @@ typedef struct {
 #ifdef __cplusplus
 }
 #endif
+#endif