return lincsd->rmsd_data;
}
-real lincs_rmsd(struct gmx_lincsdata *lincsd,bool bSD2)
+real lincs_rmsd(struct gmx_lincsdata *lincsd,gmx_bool bSD2)
{
if (lincsd->rmsd_data[0] > 0)
{
static void do_lincsp(rvec *x,rvec *f,rvec *fp,t_pbc *pbc,
struct gmx_lincsdata *lincsd,real *invmass,
int econq,real *dvdlambda,
- bool bCalcVir,tensor rmdf)
+ gmx_bool bCalcVir,tensor rmdf)
{
int b,i,j,k,n;
real tmp0,tmp1,tmp2,im1,im2,mvb,rlen,len,wfac,lam;
t_commrec *cr,
real wangle,int *warn,
real invdt,rvec *v,
- bool bCalcVir,tensor rmdr)
+ gmx_bool bCalcVir,tensor rmdr)
{
int b,i,j,k,n,iter;
real tmp0,tmp1,tmp2,im1,im2,mvb,rlen,len,len2,dlen2,wfac,lam;
int ncon1,ncon_tot;
int c0,a00,a01,n1,c1,a10,a11,ac1,n2,c2,a20,a21;
int ncon_triangle;
- bool bTriangle;
+ gmx_bool bTriangle;
t_iatom *ia1,*ia2,*iap;
ncon1 = ilist[F_CONSTR].nr/3;
gmx_lincsdata_t init_lincs(FILE *fplog,gmx_mtop_t *mtop,
int nflexcon_global,t_blocka *at2con,
- bool bPLINCS,int nIter,int nProjOrder)
+ gmx_bool bPLINCS,int nIter,int nProjOrder)
{
struct gmx_lincsdata *li;
int mb;
}
void set_lincs(t_idef *idef,t_mdatoms *md,
- bool bDynamics,t_commrec *cr,
+ gmx_bool bDynamics,t_commrec *cr,
struct gmx_lincsdata *li)
{
int start,natoms,nflexcon;
int i,k,ncc_alloc,ni,con,nconnect,concon;
int type,a1,a2;
real lenA=0,lenB;
- bool bLocal;
+ gmx_bool bLocal;
li->nc = 0;
li->ncc = 0;
static void dump_conf(gmx_domdec_t *dd,struct gmx_lincsdata *li,
t_blocka *at2con,
- char *name,bool bAll,rvec *x,matrix box)
+ char *name,gmx_bool bAll,rvec *x,matrix box)
{
char str[STRLEN];
FILE *fp;
gmx_fio_fclose(fp);
}
-bool constrain_lincs(FILE *fplog,bool bLog,bool bEner,
+gmx_bool constrain_lincs(FILE *fplog,gmx_bool bLog,gmx_bool bEner,
t_inputrec *ir,
gmx_large_int_t step,
struct gmx_lincsdata *lincsd,t_mdatoms *md,
rvec *x,rvec *xprime,rvec *min_proj,matrix box,
real lambda,real *dvdlambda,
real invdt,rvec *v,
- bool bCalcVir,tensor rmdr,
+ gmx_bool bCalcVir,tensor rmdr,
int econq,
t_nrnb *nrnb,
int maxwarn,int *warncount)
real ncons_loc,p_ssd,p_max;
t_pbc pbc,*pbc_null;
rvec dx;
- bool bOK;
+ gmx_bool bOK;
bOK = TRUE;