#include <gromacs/domdec/domdec_specatomcomm.h>

Description

Struct with setup and buffers for special atom communication.

Public Attributes
int	nreq [3][2][2]
	The nr. More...

gmx_specatsend_t	spas [3][2]
	The communication setup per DIM, direction.

gmx_bool *	bSendAtom
	Work buffer that tells if spec.atoms should be sent.

int	bSendAtom_nalloc
	Allocation size of `bSendAtom`.

int *	ibuf
	Integer send buffer.

int	ibuf_nalloc
	Allocation size of `ibuf`.

rvec *	vbuf
	rvec send buffer

int	vbuf_nalloc
	Allocation size of `vbuf`.

rvec *	vbuf2
	rvec send buffer

int	vbuf2_nalloc
	Allocation size of `vbuf2`.

int	at_start
	Start index of received atoms.

int	at_end
	End index of received atoms.

int	nthread
	Number of threads used for spec.atom communication.

ind_req_t *	ireq
	Index request buffer per thread, allocation size `nthread`.

Member Data Documentation

int gmx_domdec_specat_comm::nreq[3][2][2]

The nr.

of atoms requested, per DIM, direction and direct/indirect

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