OpenStructure
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#include <density_force_impl.hh>
Inherits ForceImpl.
Public Member Functions | |
DensityForceImpl (const DensityForce &owner) | |
~DensityForceImpl () | |
void | initialize (OpenMM::ContextImpl &context) |
const DensityForce & | getOwner () const |
void | updateContextState (OpenMM::ContextImpl &context) |
double | calcForcesAndEnergy (OpenMM::ContextImpl &context, bool includeForces, bool includeEnergy, int groups) |
std::map< std::string, double > | getDefaultParameters () |
std::vector< std::string > | getKernelNames () |
void | updateParametersInContext (OpenMM::ContextImpl &context) |
This is the internal implementation of DensityForce.
Definition at line 48 of file density_force_impl.hh.
DensityForceImpl | ( | const DensityForce & | owner | ) |
~DensityForceImpl | ( | ) |
double calcForcesAndEnergy | ( | OpenMM::ContextImpl & | context, |
bool | includeForces, | ||
bool | includeEnergy, | ||
int | groups | ||
) |
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inline |
Definition at line 60 of file density_force_impl.hh.
std::vector<std::string> getKernelNames | ( | ) |
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inline |
Definition at line 53 of file density_force_impl.hh.
void initialize | ( | OpenMM::ContextImpl & | context | ) |
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inline |
Definition at line 56 of file density_force_impl.hh.
void updateParametersInContext | ( | OpenMM::ContextImpl & | context | ) |