Pscf::Rpc::AmIteratorBasis< D > Class Template Reference
Anderson mixing iterator with imposed space-group symmetry). More...
#include <AmIteratorBasis.h>
Inheritance diagram for Pscf::Rpc::AmIteratorBasis< D >:
Public Member Functions | |
| AmIteratorBasis (System< D > &system) | |
| Constructor. | |
| Public Member Functions inherited from Pscf::Rp::AmIteratorBasis< D, Types< D > > | |
| void | readParameters (std::istream &in) override |
| Read all parameters and initialize. | |
| void | outputTimers (std::ostream &out) const override |
| Output timing results to log file. | |
| Public Member Functions inherited from Pscf::AmIteratorTmpl< Iterator, T > | |
| AmIteratorTmpl () | |
| Constructor. | |
| ~AmIteratorTmpl () | |
| Destructor. | |
| int | solve (bool isContinuation=false) |
| Iterate to a solution. | |
| void | outputTimers (std::ostream &out) const |
| Log output timing results. | |
| void | clearTimers () |
| Clear timers. | |
Additional Inherited Members | |
| Public Types inherited from Pscf::Rp::AmIteratorBasis< D, Types< D > > | |
| using | IteratorT |
| Alias for iterator type. | |
| using | VectorT |
| Alias for type of residual and state vectors. | |
| using | AmIterTmplT |
| Alias for base class. | |
| Protected Member Functions inherited from Pscf::Rp::AmIteratorBasis< D, Types< D > > | |
| AmIteratorBasis (typename Types< D >::System &system) | |
| Constructor. | |
| virtual | ~AmIteratorBasis () |
| Destructor. | |
| void | setup (bool isContinuation) override |
| Setup iterator just before entering iteration loop. | |
| Protected Member Functions inherited from Pscf::AmIteratorTmpl< Iterator, T > | |
| void | readErrorType (std::istream &in) |
| Read and validate the optional errorType string parameter. | |
| virtual bool | isValidErrorType () |
| Checks if a string is a valid error type. | |
| void | readMixingParameters (std::istream &in, bool useLambdaRamp=true) |
| Read optional parameters used in default correction algorithm. | |
| void | allocateAM () |
| Allocate memory required by AM algorithm, if necessary. | |
| bool | isAllocatedAM () const |
| Have data structures required by the AM algorithm been allocated? | |
| virtual void | clear () |
| Clear information about history. | |
| virtual double | computeError (T &residTrial, T &stateTrial, std::string errorType, int verbose) |
| Compute and return error used to test for convergence. | |
| double | computeError (int verbose) |
| Compute and return error used to test for convergence. | |
| double | lambdaRampFactor () |
| Compute ramped prefactor of mixing parameter lambda. | |
| virtual double | computeLambda () |
| Compute mixing parameter for correction step of Anderson mixing. | |
| int | verbose () const |
| Verbosity level, allowed values 0, 1, or 2. | |
| std::string | errorType () const |
| Get error type string. | |
| T const & | residual () const |
| Get the current residual vector by const reference. | |
| T const & | state () const |
| Return the current state vector by const reference. | |
| int | totalItr () |
| Return the total number of iterations needed to converge. | |
| double | timerTotal () |
| Get total time. | |
| double | timerMDE () |
| Get time spent solving the modified diffusion equation (MDE). | |
| double | timerAM () |
| Get total time for AM algorithm, excluding MDE solution. | |
| double | timerResid () |
| Get time spent computing residual. | |
| double | timerError () |
| Get time evaluating scalar error. | |
| double | timerCoeff () |
| Get time spent evaluating Anderson mixing coefficients. | |
| double | timerOmega () |
| Get time spent updating w states. | |
| template<typename Type> | |
| ScalarParam< Type > & | read (std::istream &in, const char *label, Type &value) |
| Add and read a new required ScalarParam < Type > object. | |
| template<typename Type> | |
| ScalarParam< Type > & | readOptional (std::istream &in, const char *label, Type &value) |
| Add and read a new optional ScalarParam < Type > object. | |
| Protected Attributes inherited from Pscf::AmIteratorTmpl< Iterator, T > | |
| double | epsilon_ |
| Error tolerance. | |
| int | maxItr_ |
| Maximum number of iterations to attempt. | |
| int | maxHist_ |
| Maximum number of basis vectors in AM algorithm. | |
| int | verbose_ |
| Verbosity level. | |
| std::string | errorType_ |
| Type of error criterion used to test convergence. | |
Detailed Description
template<int D>
class Pscf::Rpc::AmIteratorBasis< D >
class Pscf::Rpc::AmIteratorBasis< D >
Anderson mixing iterator with imposed space-group symmetry).
Specializations of this template with D=1, 2, and 3 are derived from specializations of the base class template Rp::AmIteratorBasis, and inherit their public interface and almost all of their source code from this base class.
Definition at line 39 of file /scft/iterator/AmIteratorBasis.h.
Constructor & Destructor Documentation
◆ AmIteratorBasis()
template<int D>
| Pscf::Rpc::AmIteratorBasis< D >::AmIteratorBasis | ( | System< D > & | system | ) |
Constructor.
- Parameters
-
system parent system
Definition at line 25 of file AmIteratorBasis.cpp.
References AmIteratorBasis().
Referenced by AmIteratorBasis().
The documentation for this class was generated from the following files:
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