- c -
- calculate_energy()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- charge()
: AtomicGrid
- check_params()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- checkCommutators()
: per::Perturbation
- checkIdempotencies()
: per::Perturbation
- checkIntervals()
: mat::PuriStepInfo
, mat::PuriStepInfoDebug
, mat::PuriStepInfoDebug< Treal, DebugLevelHigh >
- checkMaxSubspaceError()
: per::Perturbation
- clear()
: mat::Matrix< Treal >
, mat::MatrixBase
, mat::arn::MatrixTridiagSymmetric
, mat::Vector
, mat::Vector< Treal >
, mat::VectorGeneral
, mat::FileWritable
, mat::Matrix
- clear_diis_list()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- clear_error_matrices()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- ClearList()
: DIISManagerRestricted
, DIISManagerUnrestricted
- cols()
: mat::MatrixHierarchicBase
- combine_old_fock_matrices()
: SCF_restricted
, SCF_unrestricted
, SCF_general
- compare()
: pqrs_struct
- CompareClass()
: CompareClass
- compute_dipole_moment()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- compute_grid_for_box_params_struct()
: compute_grid_for_box_params_struct
- compute_grid_thread_func_struct()
: compute_grid_thread_func_struct
- computeEigAccLoss()
: mat::PuriStepInfo
- computeEigenPairTri()
: mat::arn::LanczosLargestMagnitudeEig
- computeEigVec()
: mat::arn::LanczosLargestMagnitudeEig
- computeExactE2Diag()
: LR::LRSolver
- computeExactValues()
: mat::PuriStepInfoDebug< Treal, DebugLevelHigh >
, mat::PuriStepInfo
, mat::PuriStepInfoDebug
- ComputeGridResultValuesStruct()
: ComputeGridResultValuesStruct
- computeIntegralOfSquareOfBasisFunc()
: SquareFuncIntegrator
- ComputeMatrix()
: Jworker
, Kworker
, Vxc_worker
, Jworkertest
- computeMoments()
: LR::EigenSolver
- computen0n1()
: mat::PuriStepInfo
- CongrTransErrorMatrix()
: mat::CongrTransErrorMatrix
- contains()
: Box
- converged()
: mat::PuriInfo
, mat::PuriStepInfo
, mat::arn::LanczosLargestMagnitudeEig
, mat::arn::Lanczos
, mat::arn::LanczosLargestMagnitudeEigIfSmall
- copy()
: ComplexMatrix
- copyTridiag()
: mat::arn::Lanczos
- correct_occupation_was_forced()
: mat::PuriInfo
- cover()
: mat::Interval
- create_box_system()
: BoxSystem
- create_gabedit_file()
: SCF_general
, SCF_unrestricted
, SCF_restricted
- create_homo_eigvec_file()
: SCF_restricted
, SCF_unrestricted
, SCF_general
- create_lumo_eigvec_file()
: SCF_unrestricted
, SCF_general
, SCF_restricted
- create_mtx_files_D()
: SCF_general
, SCF_unrestricted
, SCF_restricted
- create_mtx_files_F()
: SCF_unrestricted
, SCF_general
, SCF_restricted
- createOffsets()
: SparseMatrix