gmx::DomainInfo Struct Reference

Description

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.

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

• src/gromacs/mdlib/vsite.cpp