FILE* fp;
t_rgb rlo = { 1, 1, 1 }, rhi = { 0, 0, 0 };
- if (!parse_common_args(&argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME, NFILE, fnm, asize(pa), pa,
- asize(desc), desc, 0, nullptr, &oenv))
+ if (!parse_common_args(
+ &argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME, NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
ticky[i] = i * rbin;
}
fp = gmx_ffopen(matfile, "w");
- write_xpm(fp, MAT_SPATIAL_Y, "Van Hove function", "G (1/nm)",
- sbin == 0 ? "time (ps)" : "sqrt(time) (ps^1/2)", "r (nm)", mat_nx, nbin, tickx,
- ticky, mat, 0, matmax, rlo, rhi, &nlev);
+ write_xpm(fp,
+ MAT_SPATIAL_Y,
+ "Van Hove function",
+ "G (1/nm)",
+ sbin == 0 ? "time (ps)" : "sqrt(time) (ps^1/2)",
+ "r (nm)",
+ mat_nx,
+ nbin,
+ tickx,
+ ticky,
+ mat,
+ 0,
+ matmax,
+ rlo,
+ rhi,
+ &nlev);
gmx_ffclose(fp);
}
fprintf(fp, "%g", i * rbin);
for (fbin = 0; fbin < nr; fbin++)
{
- fprintf(fp, " %g",
+ fprintf(fp,
+ " %g",
static_cast<real>(pr[fbin][i]
/ (rcount[fbin] * isize * rbin * (i == 0 ? 0.5 : 1.0))));
}