Gromacs  2025.0
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions
gmx::ForceProviders Class Reference

#include <gromacs/mdtypes/iforceprovider.h>

Description

Evaluates forces from a collection of gmx::IForceProvider.

Public Member Functions

 ForceProviders (gmx_wallcycle *wallCycle=nullptr)
 Constructor. More...
 
void addForceProvider (gmx::IForceProvider *provider, const std::string &cycleCounterName="")
 Adds a provider. More...
 
bool hasForceProvider () const
 Whether there are modules added.
 
void calculateForces (const gmx::ForceProviderInput &forceProviderInput, gmx::ForceProviderOutput *forceProviderOutput) const
 Computes forces.
 

Constructor & Destructor Documentation

ForceProviders::ForceProviders ( gmx_wallcycle *  wallCycle = nullptr)

Constructor.

Parameters
[in]wallCyclePointer to a wallcycle counter struct, can be nullptr

Member Function Documentation

void ForceProviders::addForceProvider ( gmx::IForceProvider provider,
const std::string &  cycleCounterName = "" 
)

Adds a provider.

Parameters
[in]providerThe force provider callback function
[in]cycleCounterNameA non-empty string will add a cycle counter with the given name that registers the time spent in the force provider function

The documentation for this class was generated from the following files: