Gromacs
2025.0-dev-20241009-5c23d5f
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#include <gromacs/nbnxm/gridset.h>
Description of the domain setup: PBC and the connections between domains.
Public Member Functions | |
DomainSetup (PbcType pbcType, bool doTestParticleInsertion, const IVec *numDDCells, const DomdecZones *ddZones) | |
Constructor, without DD numDDCells and ddZones should be nullptr. | |
Public Attributes | |
PbcType | pbcType_ |
The type of PBC. | |
bool | doTestParticleInsertion_ |
Tells whether we are doing test-particle insertion. | |
bool | haveMultipleDomains |
Are there multiple domains? | |
std::array< bool, DIM > | haveMultipleDomainsPerDim |
Are there multiple domains along each dimension? | |
const gmx::DomdecZones * | zones |
The domain decomposition zone setup. | |