/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014,2015,2016,2017, 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.
gmx_sans_t *gmx_sans_init (const t_topology *top, gmx_neutron_atomic_structurefactors_t *gnsf)
{
- gmx_sans_t *gsans = NULL;
+ gmx_sans_t *gsans = nullptr;
int i, j;
/* Try to assing scattering length from nsfactor.dat */
snew(gsans, 1);
real mcover,
unsigned int seed)
{
- gmx_radial_distribution_histogram_t *pr = NULL;
+ gmx_radial_distribution_histogram_t *pr = nullptr;
rvec dist;
double rmax;
int i, j;
double **tgr;
int tid;
int nthreads;
- gmx::DefaultRandomEngine *trng = NULL;
+ gmx::DefaultRandomEngine *trng = nullptr;
#endif
gmx_int64_t mc = 0, mc_max;
gmx::DefaultRandomEngine rng(seed);
gmx_static_structurefactor_t *convert_histogram_to_intensity_curve (gmx_radial_distribution_histogram_t *pr, double start_q, double end_q, double q_step)
{
- gmx_static_structurefactor_t *sq = NULL;
+ gmx_static_structurefactor_t *sq = nullptr;
int i, j;
/* init data */
snew(sq, 1);