*
* 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.
{
hist->disre_initf = 0;
hist->ndisrepairs = 0;
- hist->disre_rm3tav = NULL;
+ hist->disre_rm3tav = nullptr;
hist->orire_initf = 0;
hist->norire_Dtav = 0;
- hist->orire_Dtav = NULL;
+ hist->orire_Dtav = nullptr;
}
static void zero_ekinstate(ekinstate_t *eks)
{
eks->ekin_n = 0;
- eks->ekinh = NULL;
- eks->ekinf = NULL;
- eks->ekinh_old = NULL;
+ eks->ekinh = nullptr;
+ eks->ekinf = nullptr;
+ eks->ekinh_old = nullptr;
eks->ekinscalef_nhc.resize(0);
eks->ekinscaleh_nhc.resize(0);
eks->vscale_nhc.resize(0);
swapstate->nIonTypes = 0;
swapstate->nAverage = 0;
swapstate->fluxleak = 0;
- swapstate->fluxleak_p = NULL;
+ swapstate->fluxleak_p = nullptr;
swapstate->bFromCpt = 0;
swapstate->nat[eChan0] = 0;
swapstate->nat[eChan1] = 0;
- swapstate->xc_old_whole[eChan0] = NULL;
- swapstate->xc_old_whole[eChan1] = NULL;
- swapstate->xc_old_whole_p[eChan0] = NULL;
- swapstate->xc_old_whole_p[eChan1] = NULL;
- swapstate->ionType = NULL;
+ swapstate->xc_old_whole[eChan0] = nullptr;
+ swapstate->xc_old_whole[eChan1] = nullptr;
+ swapstate->xc_old_whole_p[eChan0] = nullptr;
+ swapstate->xc_old_whole_p[eChan1] = nullptr;
+ swapstate->ionType = nullptr;
}
void init_gtc_state(t_state *state, int ngtc, int nnhpres, int nhchainlength)
}
else
{
- state->dfhist = NULL;
+ state->dfhist = nullptr;
}
- state->swapstate = NULL;
- state->edsamstate = NULL;
+ state->swapstate = nullptr;
+ state->edsamstate = nullptr;
state->ddp_count = 0;
state->ddp_count_cg_gl = 0;
state->cg_gl.resize(0);