}
}
/* Return the dissocation energy corresponding to the best match, if we have
- * found one. Do some debug output anyway.
+ * found one.
*/
if (ibest == -1)
{
- if (debug)
- {
- fprintf(debug, "MORSE: Couldn't find E_diss for bond %s - %s, using default %g\n", ai, aj, ediss);
- }
return ediss;
}
else
{
- if (debug)
- {
- fprintf(debug, "MORSE: Dissoc. E (%10.3f) for bond %4s-%4s taken from bond %4s-%4s\n",
- t2m[ibest].e_diss, ai, aj, t2m[ibest].ai, t2m[ibest].aj);
- }
return t2m[ibest].e_diss;
}
}
/* First get the data */
t2m = read_dissociation_energies(&n2m);
- if (debug)
- {
- fprintf(debug, "MORSE: read %d dissoc energies\n", n2m);
- }
if (n2m <= 0)
{
fprintf(stderr, "No dissocation energies read\n");