Implementation of mdrun

Collaboration diagram for Implementation of mdrun:

Description

This module contains code that implements mdrun.

Namespaces
	gmx
	Generic GROMACS namespace.

Functions
SimulationInputHandle	makeSimulationInput (const LegacyMdrunOptions &options)
	Direct the construction of a SimulationInput. More...

Files
file	simulationinputhandle.h
	Public interface for SimulationInput facilities.

Function Documentation

SimulationInputHandle makeSimulationInput

(

const LegacyMdrunOptions &

options

)

Direct the construction of a SimulationInput.

Warning

Creation methods for SimulationInput resources are under rapid development. Reference https://gitlab.com/gromacs/gromacs/-/issues/3652

Parameters

options

library-internal container holding partially processed user input.