*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
int ePBC;
t_atoms *atoms;
rvec *xtop, *xref, *xav, *xout;
- int nvec, *eignr = NULL;
- rvec **eigvec = NULL;
+ int nvec, *eignr = nullptr;
+ rvec **eigvec = nullptr;
matrix box;
int natoms;
int i, j, k, kmode, d;
t_filenm fnm[] =
{
- { efTPS, NULL, NULL, ffREAD },
+ { efTPS, nullptr, nullptr, ffREAD },
{ efTRN, "-v", "eigenvec", ffREAD },
{ efTRO, "-o", "nmtraj", ffWRITE }
};
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, 0,
- NFILE, fnm, NPA, pa, asize(desc), desc, 0, NULL, &oenv))
+ NFILE, fnm, NPA, pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
read_eigenvectors(opt2fn("-v", NFILE, fnm), &natoms, &bFit,
&xref, &bDMR, &xav, &bDMA, &nvec, &eignr, &eigvec, &eigval);
- read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC, &xtop, NULL, box, bDMA);
+ read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC, &xtop, nullptr, box, bDMA);
/* Find vectors and phases */
}
}
}
- write_trx(out, natoms, dummy, atoms, i, static_cast<real>(i)/nframes, box, xout, NULL, NULL);
+ write_trx(out, natoms, dummy, atoms, i, static_cast<real>(i)/nframes, box, xout, nullptr, nullptr);
}
fprintf(stderr, "\n");