SSAGES
0.1
A MetaDynamics Package
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Member
SSAGES::AngleCV::AngleCV
(int atomid1, int atomid2, int atomid3)
Bounds needs to be an input and periodic boundary conditions
Member
SSAGES::Logger::Logger
(uint frequency, const std::string &filename, const MPI_Comm &world, const MPI_Comm &comm)
wid should be obtainable from somewhere.
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 fixx, bool fixy, bool fixz)
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 fixx, bool fixy, bool fixz)
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
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