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gmx::MDModulesAtomsRedistributedSignal Struct Reference

#include <gromacs/mdrunutility/mdmodulesnotifiers.h>

+ Collaboration diagram for gmx::MDModulesAtomsRedistributedSignal:

Description

Notification that atoms may have been redistributed.

This notification is emitted at the end of the DD (re)partioning or without DD right after atoms have put into the box. The local atom sets are updated for the new atom order when this signal is emitted. The coordinates of atoms can be shifted by periodic vectors before the signal was emitted.

Public Member Functions

 MDModulesAtomsRedistributedSignal (const matrix box, gmx::ArrayRef< const RVec > x)
 

Public Attributes

const Matrix3x3 box_
 The simulation unit cell.
 
gmx::ArrayRef< const RVecx_
 List of local atom coordinates after partitioning.
 

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