#include <gromacs/ewald/pme-pp-communication.h>

Description

Helper struct for PP-PME communication of parameters.

The contents are communicated over MPI in memcpy style, so should remain suitable for that.

Public Attributes
int	natoms
	Number of atoms.

matrix	box
	Box.

int	maxshift_x
	Maximum shift in x direction.

int	maxshift_y
	Maximum shift in y direction.

real	lambda_q
	Free-energy lambda for electrostatics.

real	lambda_lj
	Free-energy lambda for Lennard-Jones.

unsigned int	flags
	Control flags.

int64_t	step
	MD integration step number.


ivec	grid_size
	Used in PME grid tuning.

real	ewaldcoeff_q

real	ewaldcoeff_lj

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

Public Attributes