SSAGES  0.8.5
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::ParticleCoordinateCV::ParticleCoordinateCV (const Label &atomids, Dimension dim)
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::ParticlePositionCV::ParticlePositionCV (const Label &atomids, const Vector3 &position)
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 (std::vector< int > atomids, std::string molxyz, 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