mdrunoptions.h File Reference

#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"

Include dependency graph for mdrunoptions.h:

This graph shows which files directly or indirectly include this file:

Description

This file declares helper functionality for legacy option handling for mdrun.

It is likely that much of this content will move closer to the functionality that supports the respective features. For example, modules that change behaviour according to whether it is a rerun could register themselves with the rerun module and get notified at setup time to set their own boolean, rather than rely on a central glob of mdrun options being passed around.

Classes
struct	gmx::CheckpointOptions
	Options for writing checkpoint files. More...
struct	gmx::TimingOptions
	Options for timing (parts of) mdrun. More...
struct	gmx::ImdOptions
	Options for IMD. More...
struct	gmx::MdrunOptions
	Collection of all options of mdrun that are not processed separately. More...

Enumerations
enum	gmx::AppendingBehavior { gmx::AppendingBehavior::Auto, gmx::AppendingBehavior::Appending, gmx::AppendingBehavior::NoAppending }
	Enumeration for mdrun appending behavior. More...