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gmx::MttkPropagatorConnectionDetails Struct Reference

#include <gromacs/modularsimulator/mttk.h>

+ Collaboration diagram for gmx::MttkPropagatorConnectionDetails:

Description

Struct collecting the propagator tags and offsets used by the MTTK pressure coupling.

MTTK scales the positions before and after the propagation step, and the velocities before and after each propagation half step.

Public Attributes

PropagatorTag propagatorTagPrePosition
 The tag of the position scaling before the propagation step.
 
PropagatorTag propagatorTagPostPosition
 The tag of the position scaling after the propagation step.
 
Offset positionOffset
 The offset at which position scaling is applied.
 
PropagatorTag propagatorTagPreVelocity1
 The tag of the velocity scaling before the first propagation half step.
 
PropagatorTag propagatorTagPostVelocity1
 The tag of the velocity scaling after the first propagation half step.
 
Offset velocityOffset1
 The offset at which the first velocity half step scaling is applied.
 
PropagatorTag propagatorTagPreVelocity2
 The tag of the velocity scaling before the second propagation half step.
 
PropagatorTag propagatorTagPostVelocity2
 The tag of the velocity scaling after the second propagation half step.
 
Offset velocityOffset2
 The offset at which the second velocity half step scaling is applied.
 

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