SSAGES
0.9.3
Software Suite for Advanced General Ensemble Simulations
|
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 |