*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, 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.
ener_file_t in;
FILE *out;
int timecheck = 0;
- gmx_enxnm_t *enm = NULL;
+ gmx_enxnm_t *enm = nullptr;
t_enxframe *fr;
int teller = 0;
real sum;
gmx_bool bCont, bRef;
gmx_bool bCutmax, bCutmin;
- real **eneset, *time = NULL;
+ real **eneset, *time = nullptr;
int *set, i, j, k, prevk, m = 0, n, nre, nset, nenergy;
- char **groups = NULL;
+ char **groups = nullptr;
char groupname[255], fn[255];
int ngroups;
t_rgb rlo, rhi, rmid;
real emax, emid, emin;
real ***emat, **etot, *groupnr;
- double beta, expE, **e, *eaver, *efree = NULL, edum;
+ double beta, expE, **e, *eaver, *efree = nullptr, edum;
char label[234];
- char **ereflines, **erefres = NULL;
- real *eref = NULL, *edif = NULL;
+ char **ereflines, **erefres = nullptr;
+ real *eref = nullptr, *edif = nullptr;
int neref = 0;
gmx_output_env_t *oenv;
t_filenm fnm[] = {
- { efEDR, "-f", NULL, ffOPTRD },
+ { efEDR, "-f", nullptr, ffOPTRD },
{ efDAT, "-groups", "groups", ffREAD },
{ efDAT, "-eref", "eref", ffOPTRD },
{ efXPM, "-emat", "emat", ffWRITE },
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME,
- NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
+ NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
out = xvgropen(ftp2fn(efXVG, NFILE, fnm), "Mean Energy", "Residue", "kJ/mol",
oenv);
- xvgr_legend(out, 0, NULL, oenv);
+ xvgr_legend(out, 0, nullptr, oenv);
j = 0;
if (output_env_get_print_xvgr_codes(oenv))
{