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gmx::DomainInfo Struct Reference


Information on PBC and domain decomposition for virtual sites.

Public Member Functions

 DomainInfo ()=default
 Constructs without PBC and DD.
 DomainInfo (PbcType pbcType, bool haveInterUpdateGroupVirtualSites, gmx_domdec_t *domdec)
 Constructs with PBC and DD, if !=nullptr.
bool useDomdec () const
 Returns whether we are using domain decomposition with more than 1 DD rank.

Public Attributes

const PbcType pbcType_ = PbcType::No
 The pbc type.
const bool useMolPbc_ = false
 Whether molecules are broken over PBC.
const gmx_domdec_t * domdec_ = nullptr
 Pointer to the domain decomposition struct, nullptr without PP DD.

The documentation for this struct was generated from the following file: