DIISManagerRestricted Class Reference
#include <diis_restricted.h>
Inheritance diagram for DIISManagerRestricted:
Public Member Functions | |
| DIISManagerRestricted () | |
| ~DIISManagerRestricted () | |
| int | AddIterationToList (symmMatrix &F, normalMatrix &E) |
| int | ClearList () |
| int | GetCombinedFockMatrix (symmMatrix &result) |
 Public Member Functions inherited from DIISManager | |
| int | Initialize (int noOfIters) |
| int | GetNoOfIters () |
Additional Inherited Members | |
| Protected Member Functions inherited from DIISManager | |
| DIISManager () | |
| virtual | ~DIISManager () |
| ergo_real | DoScalarProductOfErrorMatrices (const normalMatrix &E1, const normalMatrix &E2) |
| int | RemoveOldestIteration () |
| Protected Attributes inherited from DIISManager | |
| symmMatrix ** | F_list [2] |
| normalMatrix ** | E_list [2] |
| int | MaxNoOfIters |
| int | MatrixDimension |
| int | IterCount |
| ergo_real * | B |
Constructor & Destructor Documentation
| DIISManagerRestricted::DIISManagerRestricted | ( | ) |
| DIISManagerRestricted::~DIISManagerRestricted | ( | ) |
References ClearList().
Member Function Documentation
| int DIISManagerRestricted::AddIterationToList | ( | symmMatrix & | F, |
| normalMatrix & | E | ||
| ) |
References DIISManager::B, do_output(), DIISManager::DoScalarProductOfErrorMatrices(), DIISManager::E_list, DIISManager::F_list, DIISManager::IterCount, LOG_AREA_SCF, LOG_CAT_ERROR, LOG_CAT_INFO, DIISManager::MaxNoOfIters, Util::TimeMeter::print(), mat::FileWritable::readFromFile(), DIISManager::RemoveOldestIteration(), and mat::FileWritable::writeToFile().
| int DIISManagerRestricted::ClearList | ( | ) |
References DIISManager::E_list, DIISManager::F_list, and DIISManager::IterCount.
Referenced by ~DIISManagerRestricted().
| int DIISManagerRestricted::GetCombinedFockMatrix | ( | symmMatrix & | result | ) |
The documentation for this class was generated from the following files:
- source/scf/diis_restricted.h
- source/scf/diis_restricted.cc
