LBFGS Member List

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

allocate(const int _size)	LBFGS
alpha	LBFGS	private
alpha_k	LBFGS	private
calculate_largest_grad(const ModuleBase::matrix &_force, UnitCell &ucell)	LBFGS	private
determine_step(std::vector< double > &steplength, std::vector< ModuleBase::Vector3< double > > &dpos, double &maxstep)	LBFGS	private
dpos	LBFGS	private
energy	LBFGS	private
force	LBFGS	private
force0	LBFGS	private
get_pos(UnitCell &ucell, std::vector< ModuleBase::Vector3< double > > &pos)	LBFGS	private
get_pos_taud(UnitCell &ucell, std::vector< ModuleBase::Vector3< double > > &pos_taud)	LBFGS	private
H	LBFGS	private
H0	LBFGS	private
is_restrain()	LBFGS	private
iteration	LBFGS	private
maxstep	LBFGS	private
memory	LBFGS	private
pos	LBFGS	private
pos0	LBFGS	private
pos_taud	LBFGS	private
pos_taud0	LBFGS	private
prepare_step(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< ModuleBase::Vector3< double > > &dpos, UnitCell &ucell, const double &etot)	LBFGS	private
relax_step(const ModuleBase::matrix _force, UnitCell &ucell, const double &etot)	LBFGS
rho	LBFGS	private
s	LBFGS	private
size	LBFGS	private
solver	LBFGS	private
steplength	LBFGS	private
update(std::vector< ModuleBase::Vector3< double > > &pos_taud, std::vector< double > &pos_taud0, std::vector< double > &force, std::vector< double > &force0, UnitCell &ucell, int iteration, int memory, std::vector< std::vector< double > > &s, std::vector< std::vector< double > > &y, std::vector< double > &rho)	LBFGS	private
update_pos(UnitCell &ucell)	LBFGS	private
y	LBFGS	private