Redefine the default boolean type to gmx_bool.

[alexxy/gromacs.git] / src / mdlib / pme.c

diff --git a/src/mdlib/pme.c b/src/mdlib/pme.c
index 73687e911ab1b2fb2aba6abe0e4bf6ceaf7d94d1..b519986b57f1a0806de3eda10e1cb26c0812a73c 100644 (file)
--- a/src/mdlib/pme.c
+++ b/src/mdlib/pme.c
@@ -151,7 +151,7 @@ typedef struct {
     rvec *x;
     real *q;
     rvec *f;
-    bool bSpread;           /* These coordinates are used for spreading */
+    gmx_bool bSpread;           /* These coordinates are used for spreading */
     int  pme_order;
     splinevec theta,dtheta;
     ivec *idx;
@@ -175,8 +175,8 @@ typedef struct gmx_pme {
     MPI_Datatype  rvec_mpi;  /* the pme vector's MPI type */
 #endif
 
-    bool bPPnode;            /* Node also does particle-particle forces */
-    bool bFEP;               /* Compute Free energy contribution */
+    gmx_bool bPPnode;            /* Node also does particle-particle forces */
+    gmx_bool bFEP;               /* Compute Free energy contribution */
     int nkx,nky,nkz;         /* Grid dimensions */
     int pme_order;
     real epsilon_r;           
@@ -228,7 +228,7 @@ typedef struct gmx_pme {
     real *   work_m2inv;
 
     /* Work data for PME_redist */
-    bool     redist_init;
+    gmx_bool     redist_init;
     int *    scounts; 
     int *    rcounts;
     int *    sdispls;
@@ -386,8 +386,8 @@ static void pme_realloc_atomcomm_things(pme_atomcomm_t *atc)
     }
 }
 
-static void pmeredist_pd(gmx_pme_t pme, bool forw,
-                         int n, bool bXF, rvec *x_f, real *charge,
+static void pmeredist_pd(gmx_pme_t pme, gmx_bool forw,
+                         int n, gmx_bool bXF, rvec *x_f, real *charge,
                          pme_atomcomm_t *atc)
 /* Redistribute particle data for PME calculation */
 /* domain decomposition by x coordinate           */
@@ -478,7 +478,7 @@ static void pmeredist_pd(gmx_pme_t pme, bool forw,
 }
 
 static void pme_dd_sendrecv(pme_atomcomm_t *atc,
-                            bool bBackward,int shift,
+                            gmx_bool bBackward,int shift,
                             void *buf_s,int nbyte_s,
                             void *buf_r,int nbyte_r)
 {
@@ -513,7 +513,7 @@ static void pme_dd_sendrecv(pme_atomcomm_t *atc,
 }
 
 static void dd_pmeredist_x_q(gmx_pme_t pme, 
-                             int n, bool bX, rvec *x, real *charge,
+                             int n, gmx_bool bX, rvec *x, real *charge,
                              pme_atomcomm_t *atc)
 {
     int *commnode,*buf_index;
@@ -601,7 +601,7 @@ static void dd_pmeredist_x_q(gmx_pme_t pme,
 
 static void dd_pmeredist_f(gmx_pme_t pme, pme_atomcomm_t *atc,
                            int n, rvec *f,
-                           bool bAddF)
+                           gmx_bool bAddF)
 {
   int *commnode,*buf_index;
   int nnodes_comm,local_pos,buf_pos,i,scount,rcount,node;
@@ -1164,7 +1164,7 @@ static void spread_q_bsplines(gmx_pme_t pme, pme_atomcomm_t *atc,
 
 static int solve_pme_yzx(gmx_pme_t pme,t_complex *grid,
                          real ewaldcoeff,real vol,
-                         bool bEnerVir,real *mesh_energy,matrix vir)
+                         gmx_bool bEnerVir,real *mesh_energy,matrix vir)
 {
     /* do recip sum over local cells in grid */
     /* y major, z middle, x minor or continuous */
@@ -1447,7 +1447,7 @@ for(ithx=0; (ithx<order); ithx++)              \
 
 
 void gather_f_bsplines(gmx_pme_t pme,real *grid,
-                       bool bClearF,pme_atomcomm_t *atc,real scale)
+                       gmx_bool bClearF,pme_atomcomm_t *atc,real scale)
 {
     /* sum forces for local particles */  
     int     nn,n,ithx,ithy,ithz,i0,j0,k0;
@@ -1599,7 +1599,7 @@ static real gather_energy_bsplines(gmx_pme_t pme,real *grid,
 
 void make_bsplines(splinevec theta,splinevec dtheta,int order,
                    rvec fractx[],int nr,real charge[],
-                   bool bFreeEnergy)
+                   gmx_bool bFreeEnergy)
 {
     /* construct splines for local atoms */
     int  i,j,k,l;
@@ -1801,7 +1801,7 @@ static double pme_load_imbalance(gmx_pme_t pme)
 }
 
 static void init_atomcomm(gmx_pme_t pme,pme_atomcomm_t *atc, t_commrec *cr,
-                          int dimind,bool bSpread)
+                          int dimind,gmx_bool bSpread)
 {
     int nk,k,s;
 
@@ -1852,7 +1852,7 @@ init_overlap_comm(pme_overlap_t *  ol,
     int exten;
     int nn,nk;
     pme_grid_comm_t *pgc;
-    bool bCont;
+    gmx_bool bCont;
     int fft_start,fft_end,send_index1,recv_index1;
     
 #ifdef GMX_MPI
@@ -2030,8 +2030,8 @@ int gmx_pme_init(gmx_pme_t *         pmedata,
                  int                 nnodes_minor,
                  t_inputrec *        ir,
                  int                 homenr,
-                 bool                bFreeEnergy,
-                 bool                bReproducible)
+                 gmx_bool                bFreeEnergy,
+                 gmx_bool                bReproducible)
 {
     gmx_pme_t pme=NULL;
     
@@ -2300,7 +2300,7 @@ int gmx_pme_init(gmx_pme_t *         pmedata,
 
 static void spread_on_grid(gmx_pme_t pme,
                            pme_atomcomm_t *atc,real *grid,
-                           bool bCalcSplines,bool bSpread)
+                           gmx_bool bCalcSplines,gmx_bool bSpread)
 {    
     if (bCalcSplines)
     {
@@ -2370,7 +2370,7 @@ static void reset_pmeonly_counters(t_commrec *cr,gmx_wallcycle_t wcycle,
 int gmx_pmeonly(gmx_pme_t pme,
                 t_commrec *cr,    t_nrnb *nrnb,
                 gmx_wallcycle_t wcycle,
-                real ewaldcoeff,  bool bGatherOnly,
+                real ewaldcoeff,  gmx_bool bGatherOnly,
                 t_inputrec *ir)
 {
     gmx_pme_pp_t pme_pp;
@@ -2384,7 +2384,7 @@ int gmx_pmeonly(gmx_pme_t pme,
     matrix vir;
     float cycles;
     int  count;
-    bool bEnerVir;
+    gmx_bool bEnerVir;
     gmx_large_int_t step,step_rel;
     
     
@@ -2465,7 +2465,7 @@ int gmx_pme_do(gmx_pme_t pme,
     real    *charge=NULL,*q_d,vol;
     real    energy_AB[2];
     matrix  vir_AB[2];
-    bool    bClearF;
+    gmx_bool    bClearF;
     gmx_parallel_3dfft_t pfft_setup;
     real *  fftgrid;
     t_complex * cfftgrid;