t_mat[i[ZZ]][i[ZZ]]=c;
}
-bool test_linear_mol(rvec d)
+gmx_bool test_linear_mol(rvec d)
{
/* d is sorted in descending order */
if ( (d[ZZ] < TOLERANCE) && (d[XX]-d[YY]) < TOLERANCE ) {
}
/* Print the quadrupole moment components */
-void pr_M2(FILE *fp,char *msg,tensor m2,bool bFull)
+void pr_M2(FILE *fp,char *msg,tensor m2,gmx_bool bFull)
{
int i,j;
}
/* Print the octopole moment components */
-void pr_M3(FILE *fp,char *msg,tensor3 m3,bool bFull)
+void pr_M3(FILE *fp,char *msg,tensor3 m3,gmx_bool bFull)
{
int i,j,k;
}
/* Print the hexadecapole moment components */
-void pr_M4(FILE *fp,char *msg,tensor4 m4,bool bFull)
+void pr_M4(FILE *fp,char *msg,tensor4 m4,gmx_bool bFull)
{
int i,j,k,l;
}
/* Does the real work */
-void do_multipoles(char *trjfn,char *topfn,char *molndxfn,bool bFull)
+void do_multipoles(char *trjfn,char *topfn,char *molndxfn,gmx_bool bFull)
{
int i;
int gnx;
matrix box;
real t0,t1,tq;
int teller;
- bool bCont;
+ gmx_bool bCont;
rvec *x,*m1;
tensor *m2;
"The center of mass of the molecule is used as the origin"
};
- static bool bFull = FALSE;
+ static gmx_bool bFull = FALSE;
static int ntb=0;
t_pargs pa[] = {
{ "-boxtype",FALSE,etINT,&ntb, "HIDDENbox type 0=rectangular; 1=truncated octahedron (only rectangular boxes are fully implemented)"},