* This file is part of the GROMACS molecular simulation package.
*
* Copyright (c) 2012,2013,2014,2015,2016 by the GROMACS development team.
- * Copyright (c) 2017,2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018,2019,2020,2021, 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.
{
case eintmodNONE:
case eintmodPOTSHIFT:
- switch (nbatParams.comb_rule)
+ switch (nbatParams.ljCombinationRule)
{
- case ljcrGEOM: vdwkt = vdwktLJCUT_COMBGEOM; break;
- case ljcrLB: vdwkt = vdwktLJCUT_COMBLB; break;
- case ljcrNONE: vdwkt = vdwktLJCUT_COMBNONE; break;
+ case LJCombinationRule::Geometric: vdwkt = vdwktLJCUT_COMBGEOM; break;
+ case LJCombinationRule::LorentzBerthelot: vdwkt = vdwktLJCUT_COMBLB; break;
+ case LJCombinationRule::None: vdwkt = vdwktLJCUT_COMBNONE; break;
default: GMX_RELEASE_ASSERT(false, "Unknown combination rule");
}
break;