SyTen
syten::BasisTransformation::TrafoConf Struct Reference

Collects all parameters. More...

#include <basis-trafo.h>

+ Collaboration diagram for syten::BasisTransformation::TrafoConf:

Public Member Functions

bool reordering () const
 Convenience. More...
 
template<typename Archive >
void serialize (Archive &ar, unsigned int const in_version)
 Serialise. More...
 

Public Attributes

CostFunction cost = CostFunction::Auto
 Which cost function. More...
 
bool cpl = false
 Complex transformation. More...
 
SRDef epsabs = 1.0e-4
 Gradient tolerance in AD. More...
 
SRDef eta = 0.
 Prefactor for the operator cost. More...
 
SRDef initial_step = 1.0e-2
 Initial step in NM or AD. More...
 
Index max_iter = 80
 Maximum iterations in NM or AD. More...
 
Truncation op_trunc = Truncation(1.0e-14)
 Operator truncation. More...
 
Reordering reorder = Reordering::None
 Whether to reorder. More...
 
Index sa_iterations = 1.0e5
 Number of steps for SA scheme. More...
 
TransformationType scheme = TransformationType::NelderMead
 The optimisation method. More...
 
Truncation state_trunc = Truncation(1.0e-14)
 State truncation. More...
 
SRDef tol = 1.0e-5
 Tolerance in NM or AD. More...
 
bool uhf = false
 U(1)xU(1) Unrestricted Hartee Fock. More...
 

Static Public Attributes

static constexpr unsigned int version = 3
 Bump this if the above changes. More...
 

Detailed Description

Collects all parameters.


The documentation for this struct was generated from the following file: