#include "copyrite.h"
#include "random.h"
-real ener(matrix P,real e,real e0,int nmol,real kp,real ke,bool bPScal)
+real ener(matrix P,real e,real e0,int nmol,real kp,real ke,gmx_bool bPScal)
{
if (bPScal)
return (kp*(sqr(P[XX][XX]+P[YY][YY]+P[ZZ][ZZ]-3))+
}
void pr_progress(FILE *fp,int nit,tensor P,real epot,real eFF,
- double mc_crit,bool bConv,bool bAccept)
+ double mc_crit,gmx_bool bConv,gmx_bool bAccept)
{
fprintf(fp,"Iter %3d, eFF = %g, Converged = %s, Accepted = %s\n",
nit,eFF,yesno_names[bConv],yesno_names[bAccept]);
static real kp = 1, ke = 100, frac = 0.1;
static int maxnit = 100, eindex = 5, pindex = 19;
static int seed = 1993;
- static bool bPScal = FALSE;
+ static gmx_bool bPScal = FALSE;
static t_pargs pa[] = {
{ "-epot0", FALSE, etREAL, {&epot0},
"Potential energy in kJ/mol" },
int i,step,natoms,nmol,nit,atnr2;
real t,lambda,epot,eFF[2];
double mc_crit=0;
- bool bConverged,bAccept;
+ gmx_bool bConverged,bAccept;
tensor P;
CopyRight(stdout,argv[0]);
fprintf(fp,"epot = %8g ke = %8g kp = %8g\n",epot0,ke,kp);
fprintf(fp,"maxnit = %8d tol = %8g seed = %8d\n",maxnit,tol,seed);
fprintf(fp,"frac = %8g pindex = %8d eindex = %8d\n",frac,pindex,eindex);
- fprintf(fp,"kT = %8g pscal = %8s\n",kT,bool_names[bPScal]);
+ fprintf(fp,"kT = %8g pscal = %8s\n",kT,gmx_bool_names[bPScal]);
/* Unpack some topology numbers */
nmol = top.blocks[ebMOLS].nr;