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gmx_pme_comm_vir_ene_t Struct Reference

#include <gromacs/ewald/pme_pp_communication.h>


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.
StopCondition 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: