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SSAGES
0.9.3
Software Suite for Advanced General Ensemble Simulations
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| CSSAGES::BasisEvaluator | Calculates the inner product of all the basis functions and the histogram |
| ▼CSSAGES::BasisFunction | Abstract class for all BasisFunction inheritance |
| CSSAGES::Chebyshev | Defines the class of Chebyshev polynomials |
| CSSAGES::Fourier | Defines the class of Fourier polynomials |
| CSSAGES::Legendre | Defines the class of Legendre polynomials |
| CSSAGES::BasisLUT | Look-up table for basis functions |
| ▼CSSAGES::CollectiveVariable | Abstract class for a collective variable |
| CSSAGES::ANNCV | ANN (artifical neural network) collective variables |
| CSSAGES::AlphaRMSDCV | Collective variable to measure alpha helix secondary structure |
| CSSAGES::AngleCV | Collective variable to calculate angle |
| CSSAGES::AntiBetaRMSDCV | Collective variable to measure antiparallel beta secondary structure |
| CSSAGES::BoxVolumeCV | Collective variable on the volume of a box |
| CSSAGES::GyrationTensorCV | Collective variable on components of the gyration tensor |
| CSSAGES::MockCV | Mock collective variable for testing purposes |
| CSSAGES::PairwiseCV | Generalized collective variable based on pairwise properties of atoms |
| CSSAGES::ParallelBetaRMSDCV | Collective variable to measure parallel beta sheet secondary structure |
| CSSAGES::ParticleCoordinateCV | Collective variable on a particle coordinate |
| CSSAGES::ParticlePositionCV | Collective variable on an particle position |
| CSSAGES::ParticleSeparationCV | Collective variable on the distance between two particles' centers of mass |
| CSSAGES::RMSDCV | Collective variable to calculate root mean square displacement |
| CSSAGES::RouseModeCV | Collective variable is a Rouse mode for a polymer chain comprised of N particle groups |
| CSSAGES::TorsionalCV | Collective variable on the torsion angles |
| CSSAGES::CVManager | Collective variable manager |
| ▼CSSAGES::EventListener | Base abstract class for listening in to events fired by "Hook" |
| CSSAGES::Logger | Base class for logging SSAGES data |
| ▼CSSAGES::Method | Interface for Method implementations |
| CSSAGES::ABF | Adaptive Biasing Force Algorithm |
| CSSAGES::ANN | Artificial Neural Network Method |
| CSSAGES::BFS | Basis Function Sampling Algorithm |
| CSSAGES::CFF | Combined Force Frequency (CFF) Algorithm |
| ▼CSSAGES::ForwardFlux | ForwardFlux sampling method |
| CSSAGES::DirectForwardFlux | ForwardFlux sampling method |
| CSSAGES::Meta | "Vanilla" multi-dimensional Metadynamics |
| ▼CSSAGES::StringMethod | String base class for FTS, Swarm, and elastic band |
| CSSAGES::ElasticBand | Multi-walker Elastic Band |
| CSSAGES::FiniteTempString | Finite Temperature Spring Method |
| CSSAGES::Swarm | Swarm of Trajectories String Method |
| CSSAGES::Umbrella | Umbrella sampling method |
| ▼Cstd::exception | STL class |
| ▼Cstd::runtime_error | STL class |
| CSSAGES::BuildException | Exception to be thrown when building the Driver fails |
| CSSAGES::ForwardFlux::FFSConfigID | Nested class to store different FFS Config IDs |
| ▼CSSAGES::GridBase< T > | Base class for Grids |
| CSSAGES::Grid< T > | Basic Grid |
| ▼CSSAGES::GridBase< double > | |
| CSSAGES::Grid< double > | |
| ▼CSSAGES::GridBase< Eigen::VectorXd > | |
| CSSAGES::Grid< Eigen::VectorXd > | |
| ▼CSSAGES::GridBase< int > | |
| CSSAGES::Grid< int > | |
| ▼CSSAGES::GridBase< std::vector< double > > | |
| CSSAGES::Grid< std::vector< double > > | |
| ▼CSSAGES::GridBase< unsigned int > | |
| CSSAGES::Grid< unsigned int > | |
| ▼CSSAGES::GridBase< Vector > | |
| CSSAGES::Grid< Vector > | |
| CSSAGES::Grid< T >::GridIterator< R > | Custom Iterator |
| CSSAGES::Hill | Multidimensional hill |
| CSSAGES::Hook | Base class for hooks into the simultion engines |
| CSSAGES::JSONLoader | Class for loading JSON content from files |
| ▼CSSAGES::JSONLoaderPlugin | Abstract class for JSON loader plugins |
| CSSAGES::IncludePlugin | Class for JSON loader include plugin |
| CSSAGES::Map | Map for histogram and coefficients |
| ▼CSSAGES::PairwiseKernel | Pairwise kernel base class |
| CSSAGES::GaussianPK | Gaussian Function |
| CSSAGES::RationalSwitchPK | Rational Switching Function |
| CSSAGES::ReadBackbone | Utility class to read protein backbone atoms from a reference file |
| CSSAGES::ReadFile | Utility class to read file |
| ▼CJson::Requirement | Requirements on input files |
| CJson::AllOfRequirement | Requires that all of a list of Requirements hold |
| CJson::AnyOfRequirement | Requires that at least one of a list of Requirements hold |
| CJson::ArrayRequirement | Array of Requirements |
| CJson::BooleanRequirement | Requires json value to be of type Bool |
| CJson::DependencyRequirement | Requires dependencies to be met |
| CJson::EnumRequirement | Requires entry to be member of an enum |
| CJson::IntegerRequirement | Requirements on Integer values |
| CJson::NotRequirement | Requires a given Requirement to fail |
| CJson::NullRequirement | Requires value to be of type Null |
| CJson::NumberRequirement | Requirements on a numeric value |
| CJson::ObjectRequirement | Requirements on an object |
| CJson::OneOfRequirement | Requires exactly one of a list of Requirements to hold |
| CJson::StringRequirement | Requirements on strings |
| CJson::RequirementLoader | Helper class to load Requirement |
| CSSAGES::ResourceHandler | Class that handles SSAGES resources for a simulation |
| CSSAGES::Snapshot | Class containing a snapshot of the current simulation in time |