Gromacs
2025-dev-20240906-b7d3419
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Colvars module.
Stub Implementation in case Colvars library is not compiled
Public Member Functions | |
ColvarsMDModule ()=default | |
Construct the colvars module. | |
void | subscribeToPreProcessingNotifications (MDModulesNotifiers *) override |
Subscribe to pre processing notifications. | |
void | subscribeToSimulationSetupNotifications (MDModulesNotifiers *) override |
Subscribe to simulation setup notifications. | |
IMdpOptionProvider * | mdpOptionProvider () override |
Returns an interface for handling mdp input (and tpr I/O). | |
IMDOutputProvider * | outputProvider () override |
Returns an interface for handling output files during simulation. | |
void | initForceProviders (ForceProviders *) override |
Initializes force providers from this module. | |