Description

Master PP-PME communication data structure.

Public Attributes
int	nnode
	The number of PP node to communicate with.

int *	node
	The PP node ranks.

int	node_peer
	The peer PP node rank.

int *	nat
	The number of atom for each PP node.

int	flags_charge
	The flags sent along with the last charges.

rvec *	x
	Vector of atom coordinates to transfer to PME ranks.

rvec *	f
	Vector of atom forces received from PME ranks.

int	nalloc
	Allocation size of transfer vectors (>= `nat`)


real *	chargeA
	< Vectors of A- and B-state parameters used to transfer vectors to PME ranks

real *	chargeB

real *	sqrt_c6A

real *	sqrt_c6B

real *	sigmaA

real *	sigmaB

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

Public Attributes