ergo

o*ergo Documentation

o+Class List

|o*abalpha_struct

|o*abcd_struct

|o*mat::Acceptable

|o*mat::AcceptableMaxIter

|o*ActiveBfShells

|o*mat::ATAMatrix< Tmatrix, Treal >

|o*Atom

|o*atom_box_struct

|o*AtomicGrid

|o*Ball

|o*basis_func_group_info_for_box

|o*basis_func_index_pair_struct

|o*basis_func_index_pair_struct_1el

|o*basis_func_pair_struct

|o*basis_func_poly_struct

|o*basis_func_term_struct

|o*basis_set_range_struct

|o*basisFuncGroupPairStruct

|o*BasisFuncStruct_

|o*BasisInfoStruct

|o*basisset_atom_struct

|o*basisset_shell_struct

|o*basisset_struct

|o*BasissetNameRange

|o*Box

|o*box_item_struct

|o*box_level_struct

|o*box_struct

|o*box_struct_basic

|o*BoxPartitioner

|o*BoxStruct_

|o*BoxSystem

|o*BoysFuncIntervalStruct

|o*chunk_struct

|o*cluster_struct

|o*CompareClass< RandomAccessIterator >

|o*ComplexMatrix

|o*compute_grid_for_box_params_struct

|o*compute_grid_thread_func_struct

|o*ComputeGridResultValuesStruct

|o*mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >

|o*contrib_debug_struct

|o*CSR_element_struct

|o*csr_index_pair_struct

|o*csr_matrix_row_struct

|o*csr_matrix_struct

|o*mat::DebugLevelHigh

|o*mat::DebugLevelLow

|o*mat::DebugLevelMedium

|o*DensfitData

|o*densityFileHeaderStruct

|o*DensitySpecStruct

|o*DftGridReader

|o*DftIntegratorBl_

|o*mat::DiffMatrix< Tmatrix, Treal >

|o*DIISManager

|o*DIISManagerRestricted

|o*DIISManagerUnrestricted

|o*distr_group_struct

|o*distr_idxs_and_factor_struct

|o*distr_list_description_struct

|o*distr_org_struct

|o*DistributionSpecStruct_

|o*DistributionSpecStructLabeled

|o*DistributionSpecStructWithPairIdx

|o*dmatElementStruct

|o*LR::E2Evaluator

|o*LR::EigenSolver

|o*Ergo

|o*ergo_barrier

|o*ErgoE2Evaluator

|o*ErgoGridStream

|o*ErgoMolInfo

|o*ErgoOperator

|o*mat::EuclTruncationBase< Tmatrix, Treal >

|o*mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal >

|o*mat::EuclTruncationGeneral< Tmatrix, Treal >

|o*mat::EuclTruncationSymm< Tmatrix, Treal >

|o*mat::EuclTruncationSymmElementLevel< Tmatrix, Treal >

|o*mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal >

|o*JK::ExchWeights

|o*ExponentList

|o*expRule< Treal >

|o*mat::Failure

|o*FCAccumulator

|o*FileMatrix< Treal, TMatrixType >

|o*mat::FileWritable

|o*mat::FileWritable::Manager

|o*mat::FileWritable::Stats

|o*FirstDrv

|o*four_idx_AO_struct

|o*four_idx_SO_struct

|o*Dft::FullMatrix

|o*FullMatrixWrapper

|o*FuncList_

|o*Functional_

|o*FunctionalList

|o*FunDensProp_

|o*FunFirstFuncDrv

|o*FunFourthFuncDrv

|o*FunSecondFuncDrv

|o*FunThirdFuncDrv

|o*mat::Gblas

|o*GridGenerationParamsStruct

|o*GridGenMolInfo

|o*Dft::GridParams

|o*group_struct

|o*hermite_conversion_contrib_struct

|o*hermite_conversion_info_struct

|o*Dft::HiCuGridParams

|o*host_name_struct

|o*identify_needed_elements_thread_struct

|o*IntegralInfo

|o*IntegratorCase

|o*IntegratorWithMemory

|o*interaction_matrix_limit_range_struct

|o*interaction_matrix_limit_struct

|o*mat::Interval< Treal >

|o*J_std_joblist_thread_struct

|o*JFMMWorkerData

|o*JK_contribs_buffer_struct

|o*job_list_entry_K_struct

|o*job_list_multipole_entry_J_struct

|o*job_list_standard_entry_J_struct

|o*Jworker

|o*Jworkertest

|o*K_joblist_thread_struct

|o*Kworker

|o*l_m_struct

|o*mat::arn::Lanczos< Treal, Tmatrix, Tvector >

|o*mat::arn::LanczosLargestMagnitudeEig< Treal, Tmatrix, Tvector >

|o*mat::arn::LanczosLargestMagnitudeEigIfSmall< Treal, Tmatrix, Tvector >

|o*LinData

|o*LinRespBlData

|o*listsStruct

|o*LR::LRSolver

|o*MatAccInvestigator< Treal, Tworker >

|o*SCF::MatOptions

|o*mat::Matrix< Treal, Telement >

|o*Dft::Matrix

|o*mat::Matrix< Treal >

|o*matrix_description_struct

|o*matrix_utilities_CompareClass< RandomAccessIterator >

|o*mat::MatrixBase< Treal, Tmatrix >

|o*mat::MatrixGeneral< Treal, Tmatrix >

|o*mat::MatrixHierarchicBase< Treal, Telement >

|o*mat::MatrixSymmetric< Treal, Tmatrix >

|o*mat::MatrixTriangular< Treal, Tmatrix >

|o*mat::arn::MatrixTridiagSymmetric< Treal >

|o*mat::MemUsage

|o*mat::MemUsage::Values

|o*minimal_distr_struct

|o*MMInteractor

|o*MMLimitTable

|o*MMTranslator

|o*Molecule

|o*monomial_info_struct

|o*monomial_struct

|o*multipole_struct_large

|o*multipole_struct_small

|o*MyMolInfo

|o*neighbor_basisfunc_struct

|o*NeighbourList

|o*LR::OneElOperator

|o*CI::Options

|o*SCF::Options

|o*SCF::OutputOptions

|o*pair_status_struct

|o*JK::Params

|o*mat::Params

|o*per::Perturbation< Treal, Tmatrix, Tvector >

|o*point_3d_struct

|o*poly_12_struct

|o*poly_12_term_struct

|o*poly_1d_struct_symb

|o*poly_1d_term_struct_symb

|o*poly_3d_struct_symb

|o*poly_3d_term_struct_symb

|o*polydeg1struct

|o*pqrs_struct

|o*mat::Purification< Treal, Tmatrix, TdebugPolicy >

|o*mat::PuriInfo< Treal, Tvector, TdebugPolicy >

|o*mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >

|o*mat::PuriStepInfoDebug< Treal, TdebugPolicy >

|o*mat::PuriStepInfoDebug< Treal, DebugLevelHigh >

|o*RadialGrid

|o*RadialScheme

|o*RadialSchemeGC2

|o*RadialSchemeLMG

|o*RadialSchemeTurbo

|o*RandomNumber

|o*RGFirstDrv

|o*RGFourthDrv

|o*RGSecondDrv

|o*RGThirdDrv

|o*rhoTreeNode_

|o*SCF_general

|o*SCF_restricted

|o*SCF_statistics

|o*SCF_timer

|o*SCF_unrestricted

|o*SecondDrv

|o*setFromFullRule< Treal >

|o*LR::SetOfEqSolver

|o*ShellSpecStruct_

|o*ShellSpecStructWithExtent

|o*ShellTree

|o*mat::SingletonForTimings

|o*mat::SizesAndBlocks

|o*SlaterDet_pair_struct

|o*SlaterDet_struct

|o*LR::SmallMatrix

|o*LR::SmallMatrix::RowProxy

|o*SO_struct

|o*SparseMatrix

|o*SparseMatrix::Exception

|o*SparseMatrixWrapper

|o*SparsePattern

|o*SparsePattern::Column

|o*SparsePattern::Column::Iterator

|o*SparsePattern::Interval

|o*SquareFuncIntegrator

|o*Stream

|o*StreamSaveContext

|o*Sum< Treal >

|o*symb_matrix_element

|o*mat::TC2< Treal, Tmatrix >

|o*mat::TC2< Treal, Tmatrix >::Fun

|o*TdebugPolicy

|o*ThreadInfo

|o*mat::Time

|o*mat::TripleMatrix< Tmatrix, Tmatrix2, Treal >

|o*two_idx_SO_struct

|o*uks_data

|o*unique_exponent_struct

|o*uxc_data

|o*mat::ValidPtr< Tobj >

|o*variable

|o*LR::VarVector

|o*LR::VarVectorCollection

|o*LR::VarVectorProxyOp< MultByS, SwapXY >

|o*mat::Vector< Treal, Telement >

|o*Vector3D

|o*mat::Vector< Treal >

|o*mat::VectorGeneral< Treal, Tvector >

|o*mat::VectorHierarchicBase< Treal, Telement >

|o*vwn_params

|o*Vxc_worker

|o*working_directory_struct

|o*xc_data

|o*XcData

|o*XCDistributorGgaBlas

|o*XCDistributorLdaBlas

|o*XCEvaluator

|o*XCEvaluatorRestricted

|o*XCEvaluatorUnrestricted

|o*mat::XmY< TX, TY >

|o*mat::XpY< TX, TY >

|o*mat::Xtrans< TX >

|o*mat::XY< TX, TY >

|o*mat::XYZ< TX, TY, TZ >

|o*mat::XYZpUV< TX, TY, TZ, TU, TV >

|o*yy_buffer_state

|o*yy_trans_info

|o*yyalloc

|\*YYSTYPE

o+Class Hierarchy

|o*abalpha_struct

|o*abcd_struct

|o*ActiveBfShells

|o*mat::ATAMatrix< Tmatrix, Treal >

|o*Atom

|o*atom_box_struct

|o*AtomicGrid

|o*Ball

|o*basis_func_group_info_for_box

|o*basis_func_index_pair_struct

|o*basis_func_index_pair_struct_1el

|o*basis_func_pair_struct

|o*basis_func_poly_struct

|o*basis_func_term_struct

|o*basis_set_range_struct

|o*basisFuncGroupPairStruct

|o*BasisFuncStruct_

|o*BasisInfoStruct

|o*basisset_atom_struct

|o*basisset_shell_struct

|o*basisset_struct

|o*BasissetNameRange

|o*Box

|o*box_item_struct

|o*box_level_struct

|o*box_struct

|o*box_struct_basic

|o*BoxPartitioner

|o*BoxStruct_

|o*BoxSystem

|o*BoysFuncIntervalStruct

|o*chunk_struct

|o*cluster_struct

|o*CompareClass< RandomAccessIterator >

|o*ComplexMatrix

|o*compute_grid_for_box_params_struct

|o*compute_grid_thread_func_struct

|o*ComputeGridResultValuesStruct

|o*mat::CongrTransErrorMatrix< Tmatrix, Tmatrix2, Treal >

|o*contrib_debug_struct

|o*CSR_element_struct

|o*csr_index_pair_struct

|o*csr_matrix_row_struct

|o*csr_matrix_struct

|o+mat::DebugLevelHigh

|o*DensfitData

|o*densityFileHeaderStruct

|o*DensitySpecStruct

|o*DftGridReader

|o*DftIntegratorBl_

|o*mat::DiffMatrix< Tmatrix, Treal >

|o+DIISManager

|o*distr_group_struct

|o*distr_idxs_and_factor_struct

|o*distr_list_description_struct

|o*distr_org_struct

|o*DistributionSpecStruct_

|o*DistributionSpecStructLabeled

|o*DistributionSpecStructWithPairIdx

|o*dmatElementStruct

|o+LR::E2Evaluator

|o*Ergo

|o*ergo_barrier

|o*ErgoGridStream

|o+mat::EuclTruncationBase< Tmatrix, Treal >

|o*JK::ExchWeights

|o*ExponentList

|o*expRule< Treal >

|o+mat::Failure

|o*FCAccumulator

|o*FileMatrix< Treal, TMatrixType >

|o+mat::FileWritable

|o*mat::FileWritable::Manager

|o*mat::FileWritable::Stats

|o*FirstDrv

|o*four_idx_AO_struct

|o*four_idx_SO_struct

|o*Dft::FullMatrix

|o*FuncList_

|o*Functional_

|o*FunctionalList

|o*FunDensProp_

|o*FunFirstFuncDrv

|o*FunFourthFuncDrv

|o*FunSecondFuncDrv

|o*FunThirdFuncDrv

|o*mat::Gblas

|o*GridGenerationParamsStruct

|o+GridGenMolInfo

|o*Dft::GridParams

|o*group_struct

|o*hermite_conversion_contrib_struct

|o*hermite_conversion_info_struct

|o*Dft::HiCuGridParams

|o*host_name_struct

|o*identify_needed_elements_thread_struct

|o*IntegralInfo

|o*IntegratorCase

|o*IntegratorWithMemory

|o*interaction_matrix_limit_range_struct

|o*interaction_matrix_limit_struct

|o*mat::Interval< Treal >

|o*J_std_joblist_thread_struct

|o*JFMMWorkerData

|o*JK_contribs_buffer_struct

|o*job_list_entry_K_struct

|o*job_list_multipole_entry_J_struct

|o*job_list_standard_entry_J_struct

|o*Jworker

|o*Jworkertest

|o*K_joblist_thread_struct

|o*Kworker

|o*l_m_struct

|o+mat::arn::Lanczos< Treal, Tmatrix, Tvector >

|o*LinData

|o*LinRespBlData

|o*listsStruct

|o+LR::LRSolver

|o*MatAccInvestigator< Treal, Tworker >

|o*SCF::MatOptions

|o+Dft::Matrix

|o*matrix_description_struct

|o*matrix_utilities_CompareClass< RandomAccessIterator >

|o+mat::MatrixHierarchicBase< Treal, Telement >

|o+mat::MatrixHierarchicBase< Treal >

|o*mat::arn::MatrixTridiagSymmetric< Treal >

|o*mat::MemUsage

|o*mat::MemUsage::Values

|o*minimal_distr_struct

|o*MMInteractor

|o*MMLimitTable

|o*MMTranslator

|o*Molecule

|o*monomial_info_struct

|o*monomial_struct

|o*multipole_struct_large

|o*multipole_struct_small

|o*neighbor_basisfunc_struct

|o*NeighbourList

|o+LR::OneElOperator

|o*CI::Options

|o*SCF::Options

|o*SCF::OutputOptions

|o*pair_status_struct

|o*JK::Params

|o*mat::Params

|o*per::Perturbation< Treal, Tmatrix, Tvector >

|o*point_3d_struct

|o*poly_12_struct

|o*poly_12_term_struct

|o*poly_1d_struct_symb

|o*poly_1d_term_struct_symb

|o*poly_3d_struct_symb

|o*poly_3d_term_struct_symb

|o*polydeg1struct

|o*pqrs_struct

|o*RadialGrid

|o+RadialScheme

|o*RandomNumber

|o*RGFirstDrv

|o*RGFourthDrv

|o*RGSecondDrv

|o*RGThirdDrv

|o*rhoTreeNode_

|o+SCF_general

|o*SCF_statistics

|o*SCF_timer

|o*SecondDrv

|o*setFromFullRule< Treal >

|o*ShellSpecStruct_

|o*ShellSpecStructWithExtent

|o*ShellTree

|o*mat::SingletonForTimings

|o*mat::SizesAndBlocks

|o*SlaterDet_pair_struct

|o*SlaterDet_struct

|o*LR::SmallMatrix

|o*LR::SmallMatrix::RowProxy

|o*SO_struct

|o*SparseMatrix

|o*SparseMatrix::Exception

|o*SparsePattern

|o*SparsePattern::Column

|o*SparsePattern::Column::Iterator

|o*SparsePattern::Interval

|o*SquareFuncIntegrator

|o*Stream

|o*StreamSaveContext

|o*Sum< Treal >

|o*symb_matrix_element

|o*mat::TC2< Treal, Tmatrix >

|o*mat::TC2< Treal, Tmatrix >::Fun

|o+TdebugPolicy

|o*ThreadInfo

|o*mat::Time

|o*mat::TripleMatrix< Tmatrix, Tmatrix2, Treal >

|o*two_idx_SO_struct

|o*uks_data

|o*unique_exponent_struct

|o*uxc_data

|o*mat::ValidPtr< Tobj >

|o*variable

|o*LR::VarVector

|o*LR::VarVectorCollection

|o*LR::VarVectorProxyOp< MultByS, SwapXY >

|o*Vector3D

|o+mat::VectorHierarchicBase< Treal, Telement >

|o+mat::VectorHierarchicBase< Treal >

|o*vwn_params

|o*Vxc_worker

|o*working_directory_struct

|o*xc_data

|o*XcData

|o*XCDistributorGgaBlas

|o*XCDistributorLdaBlas

|o+XCEvaluator

|o*mat::XmY< TX, TY >

|o*mat::XpY< TX, TY >

|o*mat::Xtrans< TX >

|o*mat::XY< TX, TY >

|o*mat::XYZ< TX, TY, TZ >

|o*mat::XYZpUV< TX, TY, TZ, TU, TV >

|o*yy_buffer_state

|o*yy_trans_info

|o*yyalloc

|\*YYSTYPE

o*Class Members

o+Namespace List

o*Namespace Members

o+File List

|o*documentation/source/mainpage.h

|o*source/bin2m.cc

|o*source/config.h

|o*source/ergo_input_parser.c

|o*source/ergo_input_processor.c

|o*source/ergo_input_processor.h

|o*source/ergo_scripted.cc

|o*source/ergo_scripted.h

|o*source/fermi_contact.cc

|o*source/license.h

|o*source/matrix_typedefs.h

|o*source/slr.cc

|o*source/slr.h

|o*source/basisset/basisinfo.cc

|o*source/basisset/basisinfo.h

|o*source/basisset/basisset.cc

|o*source/basisset/basisset.h

|o*source/ci/ci.cc

|o*source/ci/ci.h

|o*source/densfromf/densfromf_full.cc

|o*source/densfromf/densfromf_full.h

|o*source/densfromf/densfromf_general.cc

|o*source/densfromf/densfromf_general.h

|o*source/densfromf/densfromf_sparse.cc

|o*source/densfromf/densfromf_sparse.h

|o*source/densfromf/simple_purification.cc

|o*source/densfromf/simple_purification.h

|o*source/dft/aos.cc

|o*source/dft/aos.h

|o*source/dft/cubature_rules.cc

|o*source/dft/cubature_rules.h

|o*source/dft/dft.h

|o*source/dft/dft_common.cc

|o*source/dft/dft_common.h

|o*source/dft/fun-becke.c

|o*source/dft/fun-cam.c

|o*source/dft/fun-gga.c

|o*source/dft/fun-kt.c

|o*source/dft/fun-lb94.c

|o*source/dft/fun-lyp.c

|o*source/dft/fun-optx.c

|o*source/dft/fun-p86c.c

|o*source/dft/fun-pbec.c

|o*source/dft/fun-pbex.c

|o*source/dft/fun-pw86x.c

|o*source/dft/fun-pw91c.c

|o*source/dft/fun-pw91x.c

|o*source/dft/fun-pw92c.c

|o*source/dft/fun-pz81.c

|o*source/dft/fun-slater.c

|o*source/dft/fun-tester.cc

|o*source/dft/fun-vwn.c

|o*source/dft/functionals.c

|o*source/dft/functionals.h

|o*source/dft/grid_atomic.cc

|o*source/dft/grid_atomic.h

|o*source/dft/grid_hicu.cc

|o*source/dft/grid_hicu.h

|o*source/dft/grid_interface.h

|o*source/dft/grid_matrix.h

|o*source/dft/grid_params.h

|o*source/dft/grid_reader.cc

|o*source/dft/grid_reader.h

|o*source/dft/grid_stream.cc

|o*source/dft/grid_stream.h

|o*source/dft/integrator.cc

|o*source/dft/integrator.h

|o*source/dft/lebedev_laikov.cc

|o*source/dft/lebedev_laikov.h

|o*source/dft/lin_trans.cc

|o*source/dft/lin_trans.h

|o*source/dft/rho-mat.cc

|o*source/dft/rho-mat.h

|o*source/dft/sparse_matrix.cc

|o*source/dft/sparse_matrix.h

|o*source/dft/sparse_pattern.cc

|o*source/dft/sparse_pattern.h

|o*source/dft/xc_matrix.cc

|o*source/dft/xc_matrix.h

|o*source/dft/xc_matrix_sparse.cc

|o*source/dft/xc_matrix_sparse.h

|o*source/integrals/basis_func_extent.cc

|o*source/integrals/basis_func_extent.h

|o*source/integrals/basis_func_extent_1el.cc

|o*source/integrals/basis_func_extent_1el.h

|o*source/integrals/basis_func_pair_list.cc

|o*source/integrals/basis_func_pair_list.h

|o*source/integrals/basis_func_pair_list_1el.cc

|o*source/integrals/basis_func_pair_list_1el.h

|o*source/integrals/box_system.cc

|o*source/integrals/box_system.h

|o*source/integrals/boysfunction.cc

|o*source/integrals/boysfunction.h

|o*source/integrals/densityfitting.cc

|o*source/integrals/densityfitting.h

|o*source/integrals/exponent_list.cc

|o*source/integrals/exponent_list.h

|o*source/integrals/hermite_conversion_explicit.cc

|o*source/integrals/hermite_conversion_explicit.h

|o*source/integrals/hermite_conversion_prep.cc

|o*source/integrals/hermite_conversion_prep.h

|o*source/integrals/hermite_conversion_symb.cc

|o*source/integrals/hermite_conversion_symb.h

|o*source/integrals/integral_info.cc

|o*source/integrals/integral_info.h

|o*source/integrals/integrals_1el.cc

|o*source/integrals/integrals_1el.h

|o*source/integrals/integrals_1el_kinetic.cc

|o*source/integrals/integrals_1el_kinetic.h

|o*source/integrals/integrals_1el_potential.cc

|o*source/integrals/integrals_1el_potential.h

|o*source/integrals/integrals_1el_single.cc

|o*source/integrals/integrals_1el_single.h

|o*source/integrals/integrals_2el.h

|o*source/integrals/integrals_2el_boxed.cc

|o*source/integrals/integrals_2el_boxed.h

|o*source/integrals/integrals_2el_coulomb.cc

|o*source/integrals/integrals_2el_coulomb.h

|o*source/integrals/integrals_2el_exchange.cc

|o*source/integrals/integrals_2el_exchange.h

|o*source/integrals/integrals_2el_exchange_prep.cc

|o*source/integrals/integrals_2el_exchange_prep.h

|o*source/integrals/integrals_2el_explicit.cc

|o*source/integrals/integrals_2el_explicit.h

|o*source/integrals/integrals_2el_layer.cc

|o*source/integrals/integrals_2el_layer.h

|o*source/integrals/integrals_2el_repeating.cc

|o*source/integrals/integrals_2el_repeating.h

|o*source/integrals/integrals_2el_single.cc

|o*source/integrals/integrals_2el_single.h

|o*source/integrals/integrals_2el_utils.cc

|o*source/integrals/integrals_2el_utils.h

|o*source/integrals/integrals_general.cc

|o*source/integrals/integrals_general.h

|o*source/integrals/integrals_hermite.cc

|o*source/integrals/integrals_hermite.h

|o*source/integrals/matrix_norm.cc

|o*source/integrals/matrix_norm.h

|o*source/integrals/mm_limit_table.cc

|o*source/integrals/mm_limit_table.h

|o*source/integrals/monomial_info.cc

|o*source/integrals/monomial_info.h

|o*source/integrals/multipole.cc

|o*source/integrals/multipole.h

|o*source/integrals/operator_matrix.cc

|o*source/integrals/operator_matrix.h

|o*source/integrals/organize_distrs.cc

|o*source/integrals/organize_distrs.h

|o*source/matrix/API_test.cc

|o*source/matrix/bench.cc

|o*source/matrix/bench_gemm_only.cc

|o*source/matrix/bisection.h

|o*source/matrix/blastime.cc

|o*source/matrix/DebugPolicies.h

|o*source/matrix/Failure.h

|o*source/matrix/FileWritable.cc

|o*source/matrix/FileWritable.h

|o*source/matrix/gblas.cc

|o*source/matrix/gblas.h

|o*source/matrix/general.h

|o*source/matrix/Interval.h

|o*source/matrix/Lanczos.h

|o*source/matrix/LanczosLargestMagnitudeEig.h

|o*source/matrix/mat_utils.h

|o*source/matrix/matInclude.cc

|o*source/matrix/matInclude.h

|o*source/matrix/Matrix.h

|o*source/matrix/matrix_proxy.h

|o*source/matrix/MatrixBase.h

|o*source/matrix/MatrixGeneral.h

|o*source/matrix/MatrixHierarchicBase.h

|o*source/matrix/MatrixSymmetric.h

|o*source/matrix/MatrixTriangular.h

|o*source/matrix/MatrixTridiagSymmetric.h

|o*source/matrix/Perturb_Test.cc

|o*source/matrix/Perturbation.h

|o*source/matrix/Purification.h

|o*source/matrix/purification_old.h

|o*source/matrix/PuriInfo.h

|o*source/matrix/PuriStepInfo.h

|o*source/matrix/PuriStepInfoDebug.h

|o*source/matrix/SizesAndBlocks.cc

|o*source/matrix/SizesAndBlocks.h

|o*source/matrix/sort.h

|o*source/matrix/TC2.h

|o*source/matrix/testOmpFail.cc

|o*source/matrix/truncation.h

|o*source/matrix/ValidPtr.h

|o*source/matrix/Vector.h

|o*source/matrix/VectorGeneral.h

|o*source/matrix/VectorHierarchicBase.h

|o*source/matrix/template_lapack/blas/template_blas_asum.h

|o*source/matrix/template_lapack/blas/template_blas_axpy.h

|o*source/matrix/template_lapack/blas/template_blas_basicmath.cc

|o*source/matrix/template_lapack/blas/template_blas_basicmath.h

|o*source/matrix/template_lapack/blas/template_blas_common.cc

|o*source/matrix/template_lapack/blas/template_blas_common.h

|o*source/matrix/template_lapack/blas/template_blas_copy.h

|o*source/matrix/template_lapack/blas/template_blas_dot.h

|o*source/matrix/template_lapack/blas/template_blas_gemm.h

|o*source/matrix/template_lapack/blas/template_blas_gemv.h

|o*source/matrix/template_lapack/blas/template_blas_ger.h

|o*source/matrix/template_lapack/blas/template_blas_idamax.h

|o*source/matrix/template_lapack/blas/template_blas_nrm2.h

|o*source/matrix/template_lapack/blas/template_blas_rot.h

|o*source/matrix/template_lapack/blas/template_blas_scal.h

|o*source/matrix/template_lapack/blas/template_blas_spmv.h

|o*source/matrix/template_lapack/blas/template_blas_spr.h

|o*source/matrix/template_lapack/blas/template_blas_spr2.h

|o*source/matrix/template_lapack/blas/template_blas_swap.h

|o*source/matrix/template_lapack/blas/template_blas_symm.h

|o*source/matrix/template_lapack/blas/template_blas_symv.h

|o*source/matrix/template_lapack/blas/template_blas_syr2.h

|o*source/matrix/template_lapack/blas/template_blas_syr2k.h

|o*source/matrix/template_lapack/blas/template_blas_syrk.h

|o*source/matrix/template_lapack/blas/template_blas_test.cc

|o*source/matrix/template_lapack/blas/template_blas_test_threaded.cc

|o*source/matrix/template_lapack/blas/template_blas_tpmv.h

|o*source/matrix/template_lapack/blas/template_blas_tpsv.h

|o*source/matrix/template_lapack/blas/template_blas_trmm.h

|o*source/matrix/template_lapack/blas/template_blas_trmv.h

|o*source/matrix/template_lapack/blas/template_blas_trsm.h

|o*source/matrix/template_lapack/blas/template_blas_trsv.h

|o*source/matrix/template_lapack/lapack/template_lapack_common.cc

|o*source/matrix/template_lapack/lapack/template_lapack_common.h

|o*source/matrix/template_lapack/lapack/template_lapack_geqr2.h

|o*source/matrix/template_lapack/lapack/template_lapack_geqrf.h

|o*source/matrix/template_lapack/lapack/template_lapack_gesv.h

|o*source/matrix/template_lapack/lapack/template_lapack_getf2.h

|o*source/matrix/template_lapack/lapack/template_lapack_getrf.h

|o*source/matrix/template_lapack/lapack/template_lapack_getrs.h

|o*source/matrix/template_lapack/lapack/template_lapack_ggbak.h

|o*source/matrix/template_lapack/lapack/template_lapack_ggbal.h

|o*source/matrix/template_lapack/lapack/template_lapack_ggev.h

|o*source/matrix/template_lapack/lapack/template_lapack_gghrd.h

|o*source/matrix/template_lapack/lapack/template_lapack_hgeqz.h

|o*source/matrix/template_lapack/lapack/template_lapack_isnan.h

|o*source/matrix/template_lapack/lapack/template_lapack_labad.h

|o*source/matrix/template_lapack/lapack/template_lapack_lacon.h

|o*source/matrix/template_lapack/lapack/template_lapack_lacpy.h

|o*source/matrix/template_lapack/lapack/template_lapack_ladiv.h

|o*source/matrix/template_lapack/lapack/template_lapack_lae2.h

|o*source/matrix/template_lapack/lapack/template_lapack_laebz.h

|o*source/matrix/template_lapack/lapack/template_lapack_laev2.h

|o*source/matrix/template_lapack/lapack/template_lapack_lag2.h

|o*source/matrix/template_lapack/lapack/template_lapack_lagtf.h

|o*source/matrix/template_lapack/lapack/template_lapack_lagts.h

|o*source/matrix/template_lapack/lapack/template_lapack_laisnan.h

|o*source/matrix/template_lapack/lapack/template_lapack_laln2.h

|o*source/matrix/template_lapack/lapack/template_lapack_lamch.h

|o*source/matrix/template_lapack/lapack/template_lapack_laneg.h

|o*source/matrix/template_lapack/lapack/template_lapack_lange.h

|o*source/matrix/template_lapack/lapack/template_lapack_lanhs.h

|o*source/matrix/template_lapack/lapack/template_lapack_lanst.h

|o*source/matrix/template_lapack/lapack/template_lapack_lansy.h

|o*source/matrix/template_lapack/lapack/template_lapack_lapy2.h

|o*source/matrix/template_lapack/lapack/template_lapack_lapy3.h

|o*source/matrix/template_lapack/lapack/template_lapack_lar1v.h

|o*source/matrix/template_lapack/lapack/template_lapack_larf.h

|o*source/matrix/template_lapack/lapack/template_lapack_larfb.h

|o*source/matrix/template_lapack/lapack/template_lapack_larfg.h

|o*source/matrix/template_lapack/lapack/template_lapack_larft.h

|o*source/matrix/template_lapack/lapack/template_lapack_larnv.h

|o*source/matrix/template_lapack/lapack/template_lapack_larra.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrb.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrc.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrd.h

|o*source/matrix/template_lapack/lapack/template_lapack_larre.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrf.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrj.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrk.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrr.h

|o*source/matrix/template_lapack/lapack/template_lapack_larrv.h

|o*source/matrix/template_lapack/lapack/template_lapack_lartg.h

|o*source/matrix/template_lapack/lapack/template_lapack_laruv.h

|o*source/matrix/template_lapack/lapack/template_lapack_lascl.h

|o*source/matrix/template_lapack/lapack/template_lapack_laset.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasq2.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasq3.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasq4.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasq5.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasq6.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasr.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasrt.h

|o*source/matrix/template_lapack/lapack/template_lapack_lasv2.h

|o*source/matrix/template_lapack/lapack/template_lapack_laswp.h

|o*source/matrix/template_lapack/lapack/template_lapack_latrd.h

|o*source/matrix/template_lapack/lapack/template_lapack_latrs.h

|o*source/matrix/template_lapack/lapack/template_lapack_org2l.h

|o*source/matrix/template_lapack/lapack/template_lapack_org2r.h

|o*source/matrix/template_lapack/lapack/template_lapack_orgql.h

|o*source/matrix/template_lapack/lapack/template_lapack_orgqr.h

|o*source/matrix/template_lapack/lapack/template_lapack_orgtr.h

|o*source/matrix/template_lapack/lapack/template_lapack_orm2r.h

|o*source/matrix/template_lapack/lapack/template_lapack_ormqr.h

|o*source/matrix/template_lapack/lapack/template_lapack_pocon.h

|o*source/matrix/template_lapack/lapack/template_lapack_potf2.h

|o*source/matrix/template_lapack/lapack/template_lapack_potrf.h

|o*source/matrix/template_lapack/lapack/template_lapack_pptrf.h

|o*source/matrix/template_lapack/lapack/template_lapack_rscl.h

|o*source/matrix/template_lapack/lapack/template_lapack_spgst.h

|o*source/matrix/template_lapack/lapack/template_lapack_stebz.h

|o*source/matrix/template_lapack/lapack/template_lapack_stein.h

|o*source/matrix/template_lapack/lapack/template_lapack_stemr.h

|o*source/matrix/template_lapack/lapack/template_lapack_steqr.h

|o*source/matrix/template_lapack/lapack/template_lapack_sterf.h

|o*source/matrix/template_lapack/lapack/template_lapack_stevr.h

|o*source/matrix/template_lapack/lapack/template_lapack_stevx.h

|o*source/matrix/template_lapack/lapack/template_lapack_syev.h

|o*source/matrix/template_lapack/lapack/template_lapack_sygs2.h

|o*source/matrix/template_lapack/lapack/template_lapack_sygst.h

|o*source/matrix/template_lapack/lapack/template_lapack_sygv.h

|o*source/matrix/template_lapack/lapack/template_lapack_sytd2.h

|o*source/matrix/template_lapack/lapack/template_lapack_sytrd.h

|o*source/matrix/template_lapack/lapack/template_lapack_test.cc

|o*source/matrix/template_lapack/lapack/template_lapack_test_threaded.cc

|o*source/matrix/template_lapack/lapack/template_lapack_tgevc.h

|o*source/matrix/template_lapack/lapack/template_lapack_tptri.h

|o*source/matrix/template_lapack/lapack/template_lapack_trti2.h

|o*source/matrix/template_lapack/lapack/template_lapack_trtri.h

|o*source/scf/diis_general.cc

|o*source/scf/diis_general.h

|o*source/scf/diis_restricted.cc

|o*source/scf/diis_restricted.h

|o*source/scf/diis_unrestricted.cc

|o*source/scf/diis_unrestricted.h

|o*source/scf/scf.cc

|o*source/scf/scf.h

|o*source/scf/SCF_general.cc

|o*source/scf/SCF_general.h

|o*source/scf/SCF_restricted.cc

|o*source/scf/SCF_restricted.h

|o*source/scf/SCF_statistics.cc

|o*source/scf/SCF_statistics.h

|o*source/scf/SCF_unrestricted.cc

|o*source/scf/SCF_unrestricted.h

|o*source/scf/scf_utils.cc

|o*source/scf/scf_utils.h

|o*source/scf/tdhf_dynamics.cc

|o*source/scf/tdhf_dynamics.h

|o*source/tddft/tddft.cc

|o*source/tddft/tddft.h

|o*source/tddft/tddft_test.cc

|o*source/test/basicmath_test.cc

|o*source/test/explicit_integral_test.cc

|o*source/test/grid_test.cc

|o*source/test/jmat_extrapolate_test.cc

|o*source/test/jmat_test.cc

|o*source/test/kmat_nosymm_test.cc

|o*source/test/kmat_symm_test.cc

|o*source/test/kmat_test.cc

|o*source/test/lapack_test.cc

|o*source/test/mat_thread_test.cc

|o*source/test/matmem_test.cc

|o*source/test/mmul_rectangular_test.cc

|o*source/test/mmul_simple_many_test.cc

|o*source/test/mmul_simple_test.cc

|o*source/test/stream_test.cc

|o*source/test/tmat_test.cc

|o*source/test/vmat_test.cc

|o*source/test/xcmat_sparse_test.cc

|o*source/test/xcmat_test.cc

|o*source/utilities/atom_labels.c

|o*source/utilities/atom_labels.h

|o*source/utilities/density_description_file_2.cc

|o*source/utilities/density_description_file_2.h

|o*source/utilities/density_projection.cc

|o*source/utilities/density_projection.h

|o*source/utilities/densitymanager.cc

|o*source/utilities/densitymanager.h

|o*source/utilities/filematrix.h

|o*source/utilities/integral_matrix_wrappers.cc

|o*source/utilities/integral_matrix_wrappers.h

|o*source/utilities/mat_acc_extrapolate.h

|o*source/utilities/matrix_utilities.cc

|o*source/utilities/matrix_utilities.h

|o*source/utilities/matrix_utilities_gao.cc

|o*source/utilities/matrix_utilities_gao.h

|o*source/utilities/molecule.cc

|o*source/utilities/molecule.h

|o*source/utilities/units.h

|o*source/utilities/xyz_file_parser.cc

|o*source/utilities/xyz_file_parser.h

|o*source/utilities_basic/barrier.c

|o*source/utilities_basic/barrier.h

|o*source/utilities_basic/csr_matrix.cc

|o*source/utilities_basic/csr_matrix.h

|o*source/utilities_basic/ergo_math.cc

|o*source/utilities_basic/ergo_math.h

|o*source/utilities_basic/machine_epsilon.cc

|o*source/utilities_basic/machine_epsilon.h

|o*source/utilities_basic/matrix_algebra.cc

|o*source/utilities_basic/matrix_algebra.h

|o*source/utilities_basic/memorymanag.c

|o*source/utilities_basic/memorymanag.h

|o*source/utilities_basic/output.c

|o*source/utilities_basic/output.h

|o*source/utilities_basic/pi.h

|o*source/utilities_basic/polydegree.h

|o*source/utilities_basic/realtype.h

|o*source/utilities_basic/solve_lin_eq_syst.cc

|o*source/utilities_basic/solve_lin_eq_syst.h

|o*source/utilities_basic/utilities.c

|\*source/utilities_basic/utilities.h

o+Directories

\*File Members