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MELDOpenMMPlugin
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#include <MeldForceImpl.h>
Inheritance diagram for MeldForceImpl:Public Member Functions | |
| MeldForceImpl (const MeldForce &owner) | |
| ~MeldForceImpl () | |
| void | initialize (OpenMM::ContextImpl &context) |
| const MeldForce & | 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) |
| MeldForceImpl | ( | const MeldForce & | owner | ) |
| ~MeldForceImpl | ( | ) |
| double calcForcesAndEnergy | ( | OpenMM::ContextImpl & | context, |
| bool | includeForces, | ||
| bool | includeEnergy, | ||
| int | groups | ||
| ) |
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inline |
| std::vector<std::string> getKernelNames | ( | ) |
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inline |
| void initialize | ( | OpenMM::ContextImpl & | context | ) |
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inline |
| void updateParametersInContext | ( | OpenMM::ContextImpl & | context | ) |