Description

Master PP-PME communication data structure.

Public Attributes
MPI_Comm	mpi_comm_mysim
	MPI communicator for this simulation.

std::vector< PpRanks >	ppRanks
	The PP partner ranks.

int	peerRankId
	The peer PP rank id.

gmx::HostVector< gmx::RVec >	x
	Vector of atom coordinates to transfer to PME ranks.

std::vector< gmx::RVec >	f
	Vector of atom forces received from PME ranks.


gmx::HostVector< real >	chargeA
	< Vectors of A- and B-state parameters used to transfer vectors to PME ranks

std::vector< real >	chargeB

std::vector< real >	sqrt_c6A

std::vector< real >	sqrt_c6B

std::vector< real >	sigmaA

std::vector< real >	sigmaB


std::vector< MPI_Request >	req
	< Vectors of MPI objects used in non-blocking communication between multiple PP ranks per PME rank

std::vector< MPI_Status >	stat

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

Public Attributes