DIISManagerUnrestricted Class Reference
#include <diis_unrestricted.h>
List of all members.
Constructor & Destructor Documentation
DIISManagerUnrestricted::DIISManagerUnrestricted |
( |
|
) |
|
DIISManagerUnrestricted::~DIISManagerUnrestricted |
( |
|
) |
|
Member Function Documentation
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, mat::FileWritable::readFromFile(), DIISManager::RemoveOldestIteration(), and mat::FileWritable::writeToFile().
int DIISManagerUnrestricted::ClearList |
( |
|
) |
|
int DIISManagerUnrestricted::GetCombinedFockMatrices |
( |
symmMatrix & |
result_alpha, |
|
|
symmMatrix & |
result_beta | |
|
) |
| | |
The documentation for this class was generated from the following files: