snew(opts->define,STRLEN);
}
-static void _low_check(bool b,char *s,warninp_t wi)
+static void _low_check(gmx_bool b,char *s,warninp_t wi)
{
if (b)
{
}
}
-static bool ir_NVE(const t_inputrec *ir)
+static gmx_bool ir_NVE(const t_inputrec *ir)
{
return ((ir->eI == eiMD || EI_VV(ir->eI)) && ir->etc == etcNO);
}
return -1;
}
-static bool do_numbering(int natoms,gmx_groups_t *groups,int ng,char *ptrs[],
+static gmx_bool do_numbering(int natoms,gmx_groups_t *groups,int ng,char *ptrs[],
t_blocka *block,char *gnames[],
int gtype,int restnm,
- int grptp,bool bVerbose,
+ int grptp,gmx_bool bVerbose,
warninp_t wi)
{
unsigned short *cbuf;
t_grps *grps=&(groups->grps[gtype]);
int i,j,gid,aj,ognr,ntot=0;
const char *title;
- bool bRest;
+ gmx_bool bRest;
char warn_buf[STRLEN];
if (debug)
sfree(na_vcm);
}
-static void decode_cos(char *s,t_cosines *cosine,bool bTime)
+static void decode_cos(char *s,t_cosines *cosine,gmx_bool bTime)
{
char *t;
char format[STRLEN],f1[STRLEN];
sfree(t);
}
-static bool do_egp_flag(t_inputrec *ir,gmx_groups_t *groups,
+static gmx_bool do_egp_flag(t_inputrec *ir,gmx_groups_t *groups,
const char *option,const char *val,int flag)
{
/* The maximum number of energy group pairs would be MAXPTR*(MAXPTR+1)/2.
int nelem,i,j,k,nr;
char *names[EGP_MAX];
char ***gnames;
- bool bSet;
+ gmx_bool bSet;
gnames = groups->grpname;
void do_index(const char* mdparin, const char *ndx,
gmx_mtop_t *mtop,
- bool bVerbose,
+ gmx_bool bVerbose,
t_inputrec *ir,rvec *v,
warninp_t wi)
{
char *ptr1[MAXPTR],*ptr2[MAXPTR],*ptr3[MAXPTR];
int i,j,k,restnm;
real SAtime;
- bool bExcl,bTable,bSetTCpar,bAnneal,bRest;
+ gmx_bool bExcl,bTable,bSetTCpar,bAnneal,bRest;
int nQMmethod,nQMbasis,nQMcharge,nQMmult,nbSH,nCASorb,nCASelec,
nSAon,nSAoff,nSAsteps,nQMg,nbOPT,nbTS;
char warn_buf[STRLEN];
}
}
-static bool absolute_reference(t_inputrec *ir,gmx_mtop_t *sys,ivec AbsRef)
+static gmx_bool absolute_reference(t_inputrec *ir,gmx_mtop_t *sys,ivec AbsRef)
{
int d,g,i;
gmx_mtop_ilistloop_t iloop;
{
char err_buf[256];
int i,m,g,nmol,npct;
- bool bCharge,bAcc;
+ gmx_bool bCharge,bAcc;
real gdt_max,*mgrp,mt;
rvec acc;
gmx_mtop_atomloop_block_t aloopb;
check_disre(sys);
}
-void double_check(t_inputrec *ir,matrix box,bool bConstr,warninp_t wi)
+void double_check(t_inputrec *ir,matrix box,gmx_bool bConstr,warninp_t wi)
{
real min_size;
- bool bTWIN;
+ gmx_bool bTWIN;
char warn_buf[STRLEN];
const char *ptr;