-void write_gaussian_SH_input(int step,bool swap,
+void write_gaussian_SH_input(int step,gmx_bool swap,
t_forcerec *fr, t_QMrec *qm, t_MMrec *mm)
{
int
i;
- bool
+ gmx_bool
bSA;
FILE
*out;
}
real read_gaussian_SH_output(rvec QMgrad[],rvec MMgrad[],int step,
- bool swapped,t_QMrec *qm, t_MMrec *mm)
+ gmx_bool swapped,t_QMrec *qm, t_MMrec *mm)
{
int
i;
state,i,j;
real
QMener=0.0;
- static bool
+ static gmx_bool
swapped=FALSE; /* handle for identifying the current PES */
- bool
+ gmx_bool
swap=FALSE; /* the actual swap */
rvec
*QMgrad,*MMgrad;