*n = nmol;
}
-static bool precalc(t_topology top,real mass2[],real qmol[]){
+static gmx_bool precalc(t_topology top,real mass2[],real qmol[]){
real mtot;
real qtot;
real qall;
int i,j,k,l;
int ai,ci;
- bool bNEU;
+ gmx_bool bNEU;
ai=0;
ci=0;
qall=0.0;
}
}
-static void calc_mj(t_topology top,int ePBC,matrix box,bool bNoJump,int isize,int index0[],\
+static void calc_mj(t_topology top,int ePBC,matrix box,gmx_bool bNoJump,int isize,int index0[],\
rvec fr[],rvec mj,real mass2[],real qmol[]){
int i,j,k,l;
}
-static real calceps(real prefactor,real md2,real mj2,real cor,real eps_rf,bool bCOR){
+static real calceps(real prefactor,real md2,real mj2,real cor,real eps_rf,gmx_bool bCOR){
/* bCOR determines if the correlation is computed via
* static properties (FALSE) or the correlation integral (TRUE)
static void dielectric(FILE *fmj,FILE *fmd,FILE *outf,FILE *fcur,FILE *mcor,
- FILE *fmjdsp, bool bNoJump,bool bACF,bool bINT,
+ FILE *fmjdsp, gmx_bool bNoJump,gmx_bool bACF,gmx_bool bINT,
int ePBC,t_topology top, t_trxframe fr,real temp,
real trust,real bfit,real efit,real bvit,real evit,
t_trxstatus *status,int isize,int nmols, int nshift,
static real temp=300.0;
static real trust=0.25;
static real eps_rf=0.0;
- static bool bNoJump=TRUE;
+ static gmx_bool bNoJump=TRUE;
static real bfit=100.0;
static real bvit=0.5;
static real efit=400.0;
int isize;
t_trxstatus *status;
int flags = 0;
- bool bTop;
- bool bNEU;
- bool bACF;
- bool bINT;
+ gmx_bool bTop;
+ gmx_bool bNEU;
+ gmx_bool bACF;
+ gmx_bool bINT;
int ePBC=-1;
int natoms;
int nmols;