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.

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

• src/gromacs/modularsimulator/mttk.h