/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 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.
rvec comA_sc, comB_sc, rdist, dpdl, dx;
gmx_bool bForceValid = TRUE;
- if ((f == NULL) || (vir_diag == NULL)) /* should both be null together! */
+ if ((f == nullptr) || (vir_diag == nullptr)) /* should both be null together! */
{
bForceValid = FALSE;
}
v = posres(idef->il[F_POSRES].nr, idef->il[F_POSRES].iatoms,
idef->iparams_posres,
x, as_rvec_array(fr->f_novirsum->data()), fr->vir_diag_posres,
- fr->ePBC == epbcNONE ? NULL : pbc,
+ fr->ePBC == epbcNONE ? nullptr : pbc,
lambda[efptRESTRAINT], &dvdl,
fr->rc_scaling, fr->ePBC, fr->posres_com, fr->posres_comB);
enerd->term[F_POSRES] += v;
lambda_dum = (i == 0 ? lambda[efptRESTRAINT] : fepvals->all_lambda[efptRESTRAINT][i-1]);
v = posres(idef->il[F_POSRES].nr, idef->il[F_POSRES].iatoms,
idef->iparams_posres,
- x, NULL, NULL,
- fr->ePBC == epbcNONE ? NULL : pbc, lambda_dum, &dvdl_dum,
+ x, nullptr, nullptr,
+ fr->ePBC == epbcNONE ? nullptr : pbc, lambda_dum, &dvdl_dum,
fr->rc_scaling, fr->ePBC, fr->posres_com, fr->posres_comB);
enerd->enerpart_lambda[i] += v;
}
v = fbposres(idef->il[F_FBPOSRES].nr, idef->il[F_FBPOSRES].iatoms,
idef->iparams_fbposres,
x, as_rvec_array(fr->f_novirsum->data()), fr->vir_diag_posres,
- fr->ePBC == epbcNONE ? NULL : pbc,
+ fr->ePBC == epbcNONE ? nullptr : pbc,
fr->rc_scaling, fr->ePBC, fr->posres_com);
enerd->term[F_FBPOSRES] += v;
inc_nrnb(nrnb, eNR_FBPOSRES, idef->il[F_FBPOSRES].nr/2);