/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2019, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020, 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.
return numGrids;
}
-GridSet::DomainSetup::DomainSetup(const int ePBC,
+GridSet::DomainSetup::DomainSetup(const PbcType pbcType,
const bool doTestParticleInsertion,
const ivec* numDDCells,
const gmx_domdec_zones_t* ddZones) :
- ePBC(ePBC),
+ pbcType(pbcType),
doTestParticleInsertion(doTestParticleInsertion),
haveMultipleDomains(numDDCells != nullptr),
zones(ddZones)
}
}
-GridSet::GridSet(const int ePBC,
+GridSet::GridSet(const PbcType pbcType,
const bool doTestParticleInsertion,
const ivec* numDDCells,
const gmx_domdec_zones_t* ddZones,
const bool haveFep,
const int numThreads,
gmx::PinningPolicy pinningPolicy) :
- domainSetup_(ePBC, doTestParticleInsertion, numDDCells, ddZones),
+ domainSetup_(pbcType, doTestParticleInsertion, numDDCells, ddZones),
grids_(numGrids(domainSetup_), Grid(pairlistType, haveFep_)),
haveFep_(haveFep),
numRealAtomsLocal_(0),