SSAGES  0.9.3
Software Suite for Advanced General Ensemble Simulations
Todo List
Member SSAGES::AngleCV::AngleCV (int atomid1, int atomid2, int atomid3)
Bounds needs to be an input and periodic boundary conditions
Member SSAGES::ANNCV::ANNCV (Label atomids, double scaling_factor, std::vector< unsigned int > num_nodes, std::string coeff_file, std::vector< std::string > activations, int out_index)
Bounds needs to be an input and periodic boundary conditions
Member SSAGES::ParticleCoordinateCV::ParticleCoordinateCV (const Label &atomids, Dimension dim)
Bounds needs to be an input.
Member SSAGES::ParticlePositionCV::ParticlePositionCV (const Label &atomids, const Vector3 &position)
Bounds needs to be an input.
Member SSAGES::ParticlePositionCV::ParticlePositionCV (const Label &atomids, const Vector3 &position, bool dimx, bool dimy, bool dimz)
Bounds needs to be an input.
Member SSAGES::ParticleSeparationCV::ParticleSeparationCV (const Label &group1, const Label &group2)
bounds needs to be an input.
Member SSAGES::ParticleSeparationCV::ParticleSeparationCV (const Label &group1, const Label &group2, bool dimx, bool dimy, bool dimz)
Bounds needs to be an input.
Member SSAGES::RMSDCV::RMSDCV (const Label &atomids, std::string xyzfile, bool use_range=false)
Bounds needs to be an input and periodic boundary conditions
Member SSAGES::TorsionalCV::TorsionalCV (int atomid1, int atomid2, int atomid3, int atomid4, bool periodic)
Bounds needs to be an input and periodic boundary conditions