rrange, krange, rincr, kincr, Rfrac;
int rkcount = 0, rblocksallocated = 0, kblocksallocated = 0;
- if (!parse_common_args(&argc, argv, PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_VIEW | PCA_TIME_UNIT,
- NFILE, fnm, NPA, pa, asize(desc), desc, 0, nullptr, &oenv))
+ if (!parse_common_args(&argc,
+ argv,
+ PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_VIEW | PCA_TIME_UNIT,
+ NFILE,
+ fnm,
+ NPA,
+ pa,
+ asize(desc),
+ desc,
+ 0,
+ nullptr,
+ &oenv))
{
return 0;
}
if (bRKout)
{
- rkfp = xvgropen(out_xvgrkfile, "Distance and \\f{Symbol}k\\f{}\\S2\\N trajectory",
- "Time (ps)", "Distance (nm) / \\f{Symbol}k\\f{}\\S2\\N", oenv);
+ rkfp = xvgropen(out_xvgrkfile,
+ "Distance and \\f{Symbol}k\\f{}\\S2\\N trajectory",
+ "Time (ps)",
+ "Distance (nm) / \\f{Symbol}k\\f{}\\S2\\N",
+ oenv);
xvgr_legend(rkfp, 2, rkleg, oenv);
}
if (bInstEffout)
{
- iefp = xvgropen(out_xvginstefffile, "Instantaneous RET Efficiency", "Time (ps)",
- "RET Efficiency", oenv);
+ iefp = xvgropen(out_xvginstefffile,
+ "Instantaneous RET Efficiency",
+ "Time (ps)",
+ "RET Efficiency",
+ oenv);
xvgr_legend(iefp, 1, ieleg, oenv);
}
{
rhist[i] /= rkcount * rrange / histbins;
}
- rhfp = xvgropen(out_xvgrhistfile, "Distance Distribution", "R (nm)",
- "Normalized Probability", oenv);
+ rhfp = xvgropen(out_xvgrhistfile,
+ "Distance Distribution",
+ "R (nm)",
+ "Normalized Probability",
+ oenv);
}
else
{
- rhfp = xvgropen(out_xvgrhistfile, "Distance Distribution", "R (nm)",
- "Probability", oenv);
+ rhfp = xvgropen(
+ out_xvgrhistfile, "Distance Distribution", "R (nm)", "Probability", oenv);
}
xvgr_legend(rhfp, 1, rhleg, oenv);
for (i = 0; i < histbins; i++)
{
khist[i] /= rkcount * krange / histbins;
}
- khfp = xvgropen(out_xvgkhistfile, "\\f{Symbol}k\\f{}\\S2\\N Distribution",
- "\\f{Symbol}k\\f{}\\S2\\N", "Normalized Probability", oenv);
+ khfp = xvgropen(out_xvgkhistfile,
+ "\\f{Symbol}k\\f{}\\S2\\N Distribution",
+ "\\f{Symbol}k\\f{}\\S2\\N",
+ "Normalized Probability",
+ oenv);
}
else
{
- khfp = xvgropen(out_xvgkhistfile, "\\f{Symbol}k\\f{}\\S2\\N Distribution",
- "\\f{Symbol}k\\f{}\\S2\\N", "Probability", oenv);
+ khfp = xvgropen(out_xvgkhistfile,
+ "\\f{Symbol}k\\f{}\\S2\\N Distribution",
+ "\\f{Symbol}k\\f{}\\S2\\N",
+ "Probability",
+ oenv);
}
xvgr_legend(khfp, 1, khleg, oenv);
for (i = 0; i < histbins; i++)