return ncopy;
}
-static void gen_pairs(t_params *nbs,t_params *pairs,real fudge, int comb, bool bVerbose)
+static void gen_pairs(t_params *nbs,t_params *pairs,real fudge, int comb, gmx_bool bVerbose)
{
int i,j,ntp,nrfp,nrfpA,nrfpB,nnn;
real scaling;
real *fudgeQQ,
int *nmolblock,
gmx_molblock_t **molblock,
- bool bFEP,
- bool bGenborn,
- bool bZero,
- bool bVerbose,
+ gmx_bool bFEP,
+ gmx_bool bGenborn,
+ gmx_bool bZero,
+ gmx_bool bVerbose,
warninp_t wi)
{
FILE *out;
t_nbparam **nbparam,**pair;
t_block2 *block2;
real fudgeLJ=-1; /* Multiplication factor to generate 1-4 from LJ */
- bool bReadDefaults,bReadMolType,bGenPairs,bWarn_copy_A_B;
+ gmx_bool bReadDefaults,bReadMolType,bGenPairs,bWarn_copy_A_B;
double qt=0,qBt=0; /* total charge */
t_bond_atomtype batype;
int lastcg=-1;
break;
case d_molecules: {
int whichmol;
- bool bCouple;
+ gmx_bool bCouple;
push_mol(nmol,*molinfo,pline,&whichmol,&nrcopies,wi);
mi0=&((*molinfo)[whichmol]);
return title;
}
-char **do_top(bool bVerbose,
+char **do_top(gmx_bool bVerbose,
const char *topfile,
const char *topppfile,
t_gromppopts *opts,
- bool bZero,
+ gmx_bool bZero,
t_symtab *symtab,
t_params plist[],
int *combination_rule,
t_inputrec *ir,
int *nmolblock,
gmx_molblock_t **molblock,
- bool bGenborn,
+ gmx_bool bGenborn,
warninp_t wi)
{
/* Tmpfile might contain a long path */
qmexcl;
t_block2
qmexcl2;
- bool
+ gmx_bool
*bQMMM,*blink,bexcl;
/* First we search and select the QM atoms in an qm_arr array that
unsigned char *grpnr;
int mb,mol,nat_mol,i;
gmx_molblock_t *molb;
- bool bQMMM;
+ gmx_bool bQMMM;
grpnr = sys->groups.grpnr[egcQMMM];