Gromacs
2025.0-dev-20241031-615c9ed
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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... | |