}
if (m == mols->nr)
{
- gmx_fatal(FARGS, "index[%d]=%d does not correspond to the first atom of a molecule",
- i + 1, index[i] + 1);
+ gmx_fatal(FARGS,
+ "index[%d]=%d does not correspond to the first atom of a molecule",
+ i + 1,
+ index[i] + 1);
}
for (j = mols->index[m]; j < mols->index[m + 1]; j++)
{
{ efXVG, nullptr, "scdist", ffWRITE } };
#define NFILE asize(fnm)
- if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW, NFILE, fnm, asize(pa), pa,
- asize(desc), desc, 0, nullptr, &oenv))
+ if (!parse_common_args(
+ &argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW, NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
sfree(x);
close_trx(status);
- fprintf(stderr, "Average number of molecules within %g nm is %.1f\n", rmax,
- static_cast<real>(ntot) / nf);
+ fprintf(stderr, "Average number of molecules within %g nm is %.1f\n", rmax, static_cast<real>(ntot) / nf);
if (ntot > 0)
{
sdip /= ntot;
sdip2 /= ntot;
sinp /= ntot;
sdinp /= ntot;
- fprintf(stderr, "Average dipole: %f (D), std.dev. %f\n", sdip,
+ fprintf(stderr,
+ "Average dipole: %f (D), std.dev. %f\n",
+ sdip,
std::sqrt(sdip2 - gmx::square(sdip)));
fprintf(stderr, "Average radial component of the dipole: %f (D)\n", sinp);
fprintf(stderr, "Average radial component of the polarization: %f (D)\n", sdinp);