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gmx_pme_comm_vir_ene_t Struct Reference

#include <gromacs/ewald/pme_pp_communication.h>

Description

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

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

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: