Gromacs
2020.5
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#include <gromacs/nbnxm/gridset.h>
Description of the domain setup: PBC and the connections between domains.
Public Member Functions | |
DomainSetup (int ePBC, bool doTestParticleInsertion, const ivec *numDDCells, const gmx_domdec_zones_t *ddZones) | |
Constructor, without DD numDDCells and ddZones should be nullptr. | |
Public Attributes | |
int | ePBC |
The type of PBC. | |
bool | doTestParticleInsertion |
Tells whether we are doing test-particle insertion. | |
bool | haveMultipleDomains |
Are there multiple domains? | |
std::array< bool, 3 > | haveMultipleDomainsPerDim |
Are there multiple domains along each dimension? | |
const gmx_domdec_zones_t * | zones |
The domain decomposition zone setup. | |