The test problem for the chemistry declares
extern void prizmo_set_d2g_c(double);
and calls this function as
prizmo_set_d2g_c(1.e-2);
However, I think fortran expects pass by reference; this appears to result in a value of 0 being set for the d2g. The following should be a fix:
extern void prizmo_set_d2g_c(double *); /* More code here */ double d2g = 1.e-2; prizmo_set_d2g_c(&d2g);
The test problem for the chemistry declares
extern void prizmo_set_d2g_c(double);and calls this function as
prizmo_set_d2g_c(1.e-2);However, I think fortran expects pass by reference; this appears to result in a value of 0 being set for the d2g. The following should be a fix:
extern void prizmo_set_d2g_c(double *); /* More code here */ double d2g = 1.e-2; prizmo_set_d2g_c(&d2g);