{ 0, COS, 0, CHS, 0, CHS, 0, 0, 2.6e-3, 0 }
};
-void unitcell(rvec x[],rvec box,bool bYaw,real odist,real hdist)
+void unitcell(rvec x[],rvec box,gmx_bool bYaw,real odist,real hdist)
{
#define cx 0.81649658
#define cy 0.47140452
}
void random_h_coords(int natmol,int nmol,rvec x[],rvec box,
- bool bYaw,real odist,real hdist)
+ gmx_bool bYaw,real odist,real hdist)
{
#define cx 0.81649658
#define cy 0.47140452
}
static t_bbb *mk_bonds(int natoms,rvec x[],real odist,
- bool bPBC,matrix box)
+ gmx_bool bPBC,matrix box)
{
real od2 = odist*odist+1e-5;
t_pbc pbc;
}
static void mk_diamond(t_atoms *a,rvec x[],real odist,t_symtab *symtab,
- bool bPBC,matrix box)
+ gmx_bool bPBC,matrix box)
{
int i,ib,j,k,l,m,nrm=0;
t_bbb *bbb;
- bool *bRemove;
+ gmx_bool *bRemove;
rvec dx;
do {
return natmol*nline;
}
-void virial(FILE *fp,bool bFull,int nmol,rvec x[],matrix box,real rcut,
- bool bYaw,real q[],bool bLJ)
+void virial(FILE *fp,gmx_bool bFull,int nmol,rvec x[],matrix box,real rcut,
+ gmx_bool bYaw,real q[],gmx_bool bLJ)
{
int i,j,im,jm,natmol,ik,jk,m,ninter;
rvec dx,f,ftot,dvir,vir,pres,xcmi,xcmj,*force;
"build water clusters based on oxygen coordinates only."
};
static int nx=1,ny=1,nz=1;
- static bool bYaw=FALSE,bLJ=TRUE,bFull=TRUE,bSeries=FALSE;
- static bool bOrdered=TRUE,bDiamond=FALSE,bPBC=TRUE;
+ static gmx_bool bYaw=FALSE,bLJ=TRUE,bFull=TRUE,bSeries=FALSE;
+ static gmx_bool bOrdered=TRUE,bDiamond=FALSE,bPBC=TRUE;
static real rcut=0.3,odist=0.274,hdist=0.09572;
t_pargs pa[] = {
{ "-nx", FALSE, etINT, {&nx}, "nx" },