for (i = 0; (i < block->nr); i++)
{
fprintf (out, "%6d", i+1);
- for (j = block->index[i]; (j < ((int)block->index[i+1])); j++)
+ for (j = block->index[i]; (j < (block->index[i+1])); j++)
{
fprintf (out, "%5d", block->a[j]+1);
}
tpnmB, at->atom[i].qB, at->atom[i].mB);
}
// Accumulate the total charge to help troubleshoot issues.
- qtot += (double)at->atom[i].q;
+ qtot += static_cast<double>(at->atom[i].q);
// Round it to zero if it is close to zero, because
// printing -9.34e-5 confuses users.
if (fabs(qtot) < 0.0001)