Algorithms

Files
file	Minimize.h
	Nonlinear minimization and linear solve templates.

Namespaces
	MinimizeLinmin
	Line minimization methods Each of the linmin methods in this namespace advance the parameters in obj along direction d. updating the energy E, gradient g, and the step-size alpha. The return value specifies if the step succeeded at reducing E. If the step fails, alpha MUST contain the total progress along dir. made by this step, so that minimize may reset it back to the original value.

Classes
struct	Minimizable< Vector >
struct	LinearSolvable< Vector >
class	EdiffCheck
	Energy difference convergence check. More...
struct	MinimizeParams
	Parameters to control the minimization algorithm. More...
class	Pulay< Variable >
	Pulay mixing to optimize self-consistent field optimization More...
struct	PulayParams
	Parameters to control Pulay mixing. More...

Detailed Description