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SSAGES
0.9.3
Software Suite for Advanced General Ensemble Simulations
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This is the complete list of members for SSAGES::ABF, including all inherited members.
| ABF(const MPI_Comm &world, const MPI_Comm &comm, Grid< int > *N, Grid< int > *Nworld, std::vector< Grid< double > * > F, std::vector< Grid< double > * > Fworld, std::vector< std::vector< double >> restraint, std::vector< bool > isperiodic, std::vector< std::vector< double >> periodicboundaries, double min, bool massweigh, std::string filename, std::string Nworld_filename, std::string Fworld_filename, const std::vector< std::vector< double >> &histdetails, int FBackupInterv, double unitconv, double timestep, unsigned int frequency) | SSAGES::ABF | inline |
| biases_ | SSAGES::ABF | private |
| boundsCheck(const std::vector< double > &CVs) | SSAGES::ABF | private |
| Build(const Json::Value &json, const MPI_Comm &world, const MPI_Comm &comm, const std::string &path) | SSAGES::ABF | static |
| BuildMethod(const Json::Value &json, const MPI_Comm &world, const MPI_Comm &comm, const std::string &path) | SSAGES::Method | static |
| CalcBiasForce(const Snapshot *snapshot, const CVList &cvs, const std::vector< double > &cvVals) | SSAGES::ABF | private |
| comm_ | SSAGES::Method | protected |
| cvmask_ | SSAGES::Method | protected |
| dim_ | SSAGES::ABF | private |
| EventListener(unsigned int frequency) | SSAGES::EventListener | inline |
| F_ | SSAGES::ABF | private |
| FBackupInterv_ | SSAGES::ABF | private |
| filename_ | SSAGES::ABF | private |
| Fold_ | SSAGES::ABF | private |
| frequency_ | SSAGES::EventListener | private |
| Fworld_ | SSAGES::ABF | private |
| Fworld_filename_ | SSAGES::ABF | private |
| GetFrequency() const | SSAGES::EventListener | inline |
| GetNumWalkers(const MPI_Comm &world, const MPI_Comm &comm) | SSAGES::EventListener | inlinestatic |
| GetWalkerID(const MPI_Comm &world, const MPI_Comm &comm) | SSAGES::EventListener | inlinestatic |
| histdetails_ | SSAGES::ABF | private |
| IsMasterRank(const MPI_Comm &comm) | SSAGES::EventListener | inlinestatic |
| isperiodic_ | SSAGES::ABF | private |
| iteration_ | SSAGES::ABF | private |
| mass_ | SSAGES::ABF | private |
| massweigh_ | SSAGES::ABF | private |
| Method(unsigned int frequency, const MPI_Comm &world, const MPI_Comm &comm) | SSAGES::Method | inline |
| min_ | SSAGES::ABF | private |
| N_ | SSAGES::ABF | private |
| Nworld_ | SSAGES::ABF | private |
| Nworld_filename_ | SSAGES::ABF | private |
| periodicboundaries_ | SSAGES::ABF | private |
| PostIntegration(Snapshot *snapshot, const class CVManager &cvmanager) override | SSAGES::ABF | virtual |
| PostSimulation(Snapshot *snapshot, const class CVManager &cvmanager) override | SSAGES::ABF | virtual |
| PreSimulation(Snapshot *snapshot, const class CVManager &cvmanager) override | SSAGES::ABF | virtual |
| restraint_ | SSAGES::ABF | private |
| SetCVMask(const std::vector< unsigned int > &mask) | SSAGES::Method | inline |
| SetIteration(const int iter) | SSAGES::ABF | inline |
| timestep_ | SSAGES::ABF | private |
| unitconv_ | SSAGES::ABF | private |
| wdotp1_ | SSAGES::ABF | private |
| wdotp2_ | SSAGES::ABF | private |
| world_ | SSAGES::Method | protected |
| worldout_ | SSAGES::ABF | private |
| WriteData() | SSAGES::ABF | private |
| ~ABF() | SSAGES::ABF | inline |
| ~EventListener() | SSAGES::EventListener | inlinevirtual |
| ~Method() | SSAGES::Method | inlinevirtual |
1.9.1