BFGS Member List

This is the complete list of members for BFGS, including all inherited members.

allocate(const int _size)	BFGS
alpha	BFGS	private
CalculateLargestGrad(const ModuleBase::matrix &_force, UnitCell &ucell)	BFGS	private
DetermineStep(std::vector< double > &steplength, std::vector< ModuleBase::Vector3< double > > &dpos, double &maxstep)	BFGS	private
dpos	BFGS	private
force	BFGS	private
force0	BFGS	private
GetPos(UnitCell &ucell, std::vector< ModuleBase::Vector3< double > > &pos)	BFGS	private
GetPostaud(UnitCell &ucell, std::vector< ModuleBase::Vector3< double > > &pos_taud)	BFGS	private
H	BFGS	private
IsRestrain()	BFGS	private
largest_grad	BFGS	private
maxstep	BFGS	private
pos	BFGS	private
pos0	BFGS	private
pos_taud	BFGS	private
pos_taud0	BFGS	private
PrepareStep(std::vector< ModuleBase::Vector3< double > > &force, std::vector< ModuleBase::Vector3< double > > &pos, std::vector< std::vector< double > > &H, std::vector< double > &pos0, std::vector< double > &force0, std::vector< double > &steplength, std::vector< ModuleBase::Vector3< double > > &dpos, int &size, UnitCell &ucell)	BFGS	private
relax_step(const ModuleBase::matrix &_force, UnitCell &ucell)	BFGS
sign	BFGS	private
size	BFGS	private
steplength	BFGS	private
Update(std::vector< double > &pos, std::vector< double > &force, std::vector< std::vector< double > > &H, UnitCell &ucell)	BFGS	private
UpdatePos(UnitCell &ucell)	BFGS	private