Gromacs
2024.4
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Colvars module.
Class that implements the colvars MDModule
Public Member Functions | |
ColvarsMDModule ()=default | |
Construct the colvars module. | |
void | subscribeToPreProcessingNotifications (MDModulesNotifiers *notifier) override |
Requests to be notified during pre-processing. More... | |
void | subscribeToSimulationSetupNotifications (MDModulesNotifiers *notifier) override |
Request to be notified. The Colvars MDModule subscribes to these notifications: More... | |
IMdpOptionProvider * | mdpOptionProvider () override |
From IMDModule. | |
IMDOutputProvider * | outputProvider () override |
From IMDModule Colvars provide its own output. | |
void | initForceProviders (ForceProviders *forceProviders) override |
From IMDModule Add this module to the force providers if active. | |
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inlineoverridevirtual |
Requests to be notified during pre-processing.
[in] | notifier | allows the module to subscribe to notifications from MdModules. |
The Colvars MDModule subscribes to these notifications:
Implements gmx::IMDModule.
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inlineoverridevirtual |
Request to be notified. The Colvars MDModule subscribes to these notifications:
Implements gmx::IMDModule.