Description

Helper struct for PP-PME communication of virial and energy.

Public Attributes
float	cycles
	Counter of CPU cycles used.

gmx_stop_cond_t	stop_cond
	Flag used in responding to an external signal to terminate.


matrix	vir_q
	Virial, energy, and derivative of potential w.r.t. lambda for charge and Lennard-Jones.

matrix	vir_lj

real	energy_q

real	energy_lj

real	dvdlambda_q

real	dvdlambda_lj

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

Public Attributes