{
gmx_fatal(FARGS, "Invalid fft return status %d", status);
}
- fp = xvgropen(fn, "Vibrational Power Spectrum",
- bRecip ? "\\f{12}w\\f{4} (cm\\S-1\\N)" : "\\f{12}n\\f{4} (ps\\S-1\\N)", "a.u.", oenv);
+ fp = xvgropen(fn,
+ "Vibrational Power Spectrum",
+ bRecip ? "\\f{12}w\\f{4} (cm\\S-1\\N)" : "\\f{12}n\\f{4} (ps\\S-1\\N)",
+ "a.u.",
+ oenv);
/* This is difficult.
* The length of the ACF is dt (as passed to this routine).
* We pass the vacf with N time steps from 0 to dt.
npargs = asize(pa);
ppa = add_acf_pargs(&npargs, pa);
- if (!parse_common_args(&argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME, NFILE, fnm, npargs, ppa,
- asize(desc), desc, 0, nullptr, &oenv))
+ if (!parse_common_args(
+ &argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME, NFILE, fnm, npargs, ppa, asize(desc), desc, 0, nullptr, &oenv))
{
sfree(ppa);
return 0;
{
/* Compute time step between frames */
dt = (t1 - t0) / (counter - 1);
- do_autocorr(opt2fn("-o", NFILE, fnm), oenv,
+ do_autocorr(opt2fn("-o", NFILE, fnm),
+ oenv,
bMass ? "Momentum Autocorrelation Function" : "Velocity Autocorrelation Function",
- counter, gnx, c1, dt, eacVector, TRUE);
+ counter,
+ gnx,
+ c1,
+ dt,
+ eacVector,
+ TRUE);
do_view(oenv, opt2fn("-o", NFILE, fnm), "-nxy");