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
Generated on Fri Jun 4 2021 17:28:52 for SSAGES by
1.9.1