JDFTx  1.4.0
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages


file  Minimize.h
 Nonlinear minimization and linear solve templates.


 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.


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