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Gromacs
2023.4
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#include <gromacs/mdtypes/iforceprovider.h>
Evaluates forces from a collection of gmx::IForceProvider.
Public Member Functions | |
| void | addForceProvider (gmx::IForceProvider *provider) |
| Adds a provider. | |
| bool | hasForceProvider () const |
| Whether there are modules added. | |
| void | calculateForces (const gmx::ForceProviderInput &forceProviderInput, gmx::ForceProviderOutput *forceProviderOutput) const |
| Computes forces. | |
1.8.5