t_atom *atom;
t_param *param;
int atomnr;
- bool have_atomic_number;
- bool have_bonded_type;
+ gmx_bool have_atomic_number;
+ gmx_bool have_bonded_type;
snew(atom,1);
snew(param,1);
t_param * b,
int nral,
int ftype,
- bool bAllowRepeat,
+ gmx_bool bAllowRepeat,
char * line,
warninp_t wi)
{
int i,j;
- bool bTest,bFound,bCont,bId;
+ gmx_bool bTest,bFound,bCont,bId;
int nr = bt->nr;
int nrfp = NRFP(ftype);
char errbuf[256];
char alc[MAXATOMLIST+1][20];
double c[MAXFORCEPARAM];
t_param p;
- bool bAllowRepeat;
+ gmx_bool bAllowRepeat;
char errbuf[256];
/* This routine accepts dihedraltypes defined from either 2 or 4 atoms.
real cr[4],sig6;
atom_id ai,aj;
t_nbparam *nbp;
- bool bId;
+ gmx_bool bId;
char errbuf[256];
if (sscanf (pline,"%s%s%d",a0,a1,&f) != 3) {
int nxcmap,nycmap,ncmap,read_cmap,sl,nct;
char s[20],alc[MAXATOMLIST+1][20];
t_param p;
- bool bAllowRepeat;
+ gmx_bool bAllowRepeat;
char errbuf[256];
/* Keep the compiler happy */
newmol->excl_set = FALSE;
}
-static bool default_nb_params(int ftype,t_params bt[],t_atoms *at,
- t_param *p,int c_start,bool bB,bool bGenPairs)
+static gmx_bool default_nb_params(int ftype,t_params bt[],t_atoms *at,
+ t_param *p,int c_start,gmx_bool bB,gmx_bool bGenPairs)
{
int i,j,ti,tj,ntype;
- bool bFound;
+ gmx_bool bFound;
t_param *pi=NULL;
int nr = bt[ftype].nr;
int nral = NRAL(ftype);
return bFound;
}
-static bool default_cmap_params(int ftype, t_params bondtype[],
+static gmx_bool default_cmap_params(int ftype, t_params bondtype[],
t_atoms *at, gpp_atomtype_t atype,
- t_param *p, bool bB,
+ t_param *p, gmx_bool bB,
int *cmap_type, int *nparam_def)
{
int i,j,nparam_found;
int ct;
- bool bFound=FALSE;
+ gmx_bool bFound=FALSE;
nparam_found = 0;
ct = 0;
return bFound;
}
-static bool default_params(int ftype,t_params bt[],
+static gmx_bool default_params(int ftype,t_params bt[],
t_atoms *at,gpp_atomtype_t atype,
- t_param *p,bool bB,
+ t_param *p,gmx_bool bB,
t_param **param_def,
int *nparam_def)
{
int i,j,nparam_found;
- bool bFound,bSame;
+ gmx_bool bFound,bSame;
t_param *pi=NULL;
t_param *pj=NULL;
int nr = bt[ftype].nr;
void push_bond(directive d,t_params bondtype[],t_params bond[],
t_atoms *at,gpp_atomtype_t atype,char *line,
- bool bBonded,bool bGenPairs,real fudgeQQ,
- bool bZero,bool *bWarn_copy_A_B,
+ gmx_bool bBonded,gmx_bool bGenPairs,real fudgeQQ,
+ gmx_bool bZero,gmx_bool *bWarn_copy_A_B,
warninp_t wi)
{
const char *aaformat[MAXATOMLIST]= {
double cc[MAXFORCEPARAM+1];
int aa[MAXATOMLIST+1];
t_param param,paramB,*param_defA,*param_defB;
- bool bFoundA=FALSE,bFoundB=FALSE,bDef,bPert,bSwapParity=FALSE;
+ gmx_bool bFoundA=FALSE,bFoundB=FALSE,bDef,bPert,bSwapParity=FALSE;
int nparam_defA,nparam_defB;
char errbuf[256];
void push_cmap(directive d, t_params bondtype[], t_params bond[],
t_atoms *at, gpp_atomtype_t atype, char *line,
- bool *bWarn_copy_A_B,
+ gmx_bool *bWarn_copy_A_B,
warninp_t wi)
{
const char *aaformat[MAXATOMLIST+1]=
int cmap_type;
int aa[MAXATOMLIST+1];
char errbuf[256];
- bool bFound;
+ gmx_bool bFound;
t_param param,paramB,*param_defA,*param_defB;
ftype = ifunc_index(d,1);
int n,ntype,i,j,k;
t_atom *atom;
t_blocka *excl;
- bool bExcl;
+ gmx_bool bExcl;
t_param param;
n = mol->atoms.nr;
void convert_moltype_couple(t_molinfo *mol,int atomtype_decouple,real fudgeQQ,
int couple_lam0,int couple_lam1,
- bool bCoupleIntra,int nb_funct,t_params *nbp)
+ gmx_bool bCoupleIntra,int nb_funct,t_params *nbp)
{
convert_pairs_to_pairsQ(mol->plist,fudgeQQ,&mol->atoms);
if (!bCoupleIntra) {