- s -
- s
: contrib_debug_struct
, host_name_struct
, pqrs_struct
, ShellSpecStructWithExtent
, working_directory_struct
- S_symm
: SCF_general
- same_i_count
: i_j_val_struct
- save_final_potential
: SCF::Options
- save_full_matrices_for_matlab
: SCF::Options
- save_permuted_F_matrix_in_bin
: GetDensFromFock
, SCF::Options
- savedPoints
: Stream
, StreamSaveContext
, ThreadInfo
- SavedPrefactor_list
: BoysFunctionManager
- scalar
: LR::VarVectorProxyOp< MultByS, SwapXY >
- scaledSolidHarmonicPrefactor
: basis_func_poly_struct
- scan_do_invcholfactor_transf
: SCF::Options
- scan_no_of_steps
: SCF::Options
- scan_start_thresh
: SCF::Options
- scan_step_factor
: SCF::Options
- scf_params
: Ergo
- SCF_step
: GetDensFromFock
- scf_step
: PurificationGeneral< MatrixType >
- SCF_step
: SCF_general
- scfOptions
: Ergo
- scfopts
: SCF_general
- second
: Functional_
- SET
: GetDensFromFock
- sg_disturb_specific_elements
: SCF::Options
- shell_ID
: basisset_shell_struct
, ShellSpecStruct
- shellInfo
: NeighbourList
- shellList
: BasisInfoStruct
, DensitySpecStruct
- shells
: basisset_atom_struct
, ShellTree
- shellTree
: ErgoMolInfo
- shellType
: BasisFuncStruct
, ShellSpecStruct
- shift
: CI::Options
, mat::TC2< Treal, Tmatrix >::Fun
, MatVecMul
- shift_using_prev_density_matrix
: SCF::Options
- shl_bl_cnt
: DftIntegratorBl_
- shlblocks
: DftIntegratorBl_
- shlBlocks
: StreamSaveContext
- sigma
: mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
, per::Perturbation< Treal, Tmatrix, Tvector >
- SIGMA_HOMO_VEC
: PurificationGeneral< MatrixType >
- SIGMA_LUMO_VEC
: PurificationGeneral< MatrixType >
- sign
: contrib_debug_struct
- simplePrimitiveIndex
: BasisFuncStruct
- simplePrimitiveList
: BasisInfoStruct
- size
: mat::arn::MatrixTridiagSymmetric< Treal >
- size_accTmp
: mat::arn::LanczosSeveralLargestEig< Treal, Tmatrix, Tvector >
- size_block_info
: ComplexMatrix
, SCF::MatOptions
- size_packed
: MM_kernel_inner_sse2_A< T_real, T_reg, T_M, T_N, T_K >::Pack< T_rows, T_cols, T_ordering_kernel, T_repetitions >
, MM_kernel_outer_A< T_gemm_kernel, T_M_block, T_N_block >::Pack< T_rows_block, T_cols_block, T_ordering_block, T_pack_type_kernel >
- sizeList
: ShellSpecStruct
- skip_H_core
: SCF::Options
- SlaterDetList
: MatVecMul
- smaller
: ShellTree
- SO_list
: SlaterDet_struct
- SOs_a
: SlaterDet_pair_struct
- SOs_a_pos
: SlaterDet_pair_struct
- SOs_b
: SlaterDet_pair_struct
- SOs_b_pos
: SlaterDet_pair_struct
- sourceIndex
: hermite_conversion_contrib_struct
- sparse_matrix_block_factor_1
: SCF::MatOptions
- sparse_matrix_block_factor_2
: SCF::MatOptions
- sparse_matrix_block_factor_3
: SCF::MatOptions
- sparse_matrix_block_size
: SCF::MatOptions
- sparse_threshold
: SCF::MatOptions
- sparse_threshold_for_S
: SCF::Options
- sparse_threshold_for_Z
: SCF::Options
- sparsePattern
: compute_grid_thread_func_struct
, Stream
- spectrum_bounds
: PurificationGeneral< MatrixType >
- spin
: SO_struct
- spin_flip_atom_count
: SCF::Options
- spMatCountList
: distr_org_struct
- spMatElementList
: distr_org_struct
- spMatIdxList
: distr_org_struct
- sSub
: LR::LRSolver
- start_box_size_debug
: Dft::HiCuGridParams
- startAtomIndex
: basis_set_range_struct
, BasissetNameRange
- startBox
: compute_grid_thread_func_struct
- startDistance
: MMLimitTable::interaction_matrix_limit_range_struct
- startIndex
: distr_group_struct
, group_struct
, SlaterDet_struct
- startIndexInBoxList
: box_level_struct
- startIndexInMatrix
: ShellSpecStruct
- starting_guess_disturbance
: SCF::Options
- starting_guess_spin_diff
: SCF::Options
- startTimeCPU_sys
: SCF_timer
, Util::TimeMeter
- startTimeCPU_usr
: SCF_timer
, Util::TimeMeter
- startTimeWall
: SCF_timer
, Util::TimeMeter
- stats_prefix
: GetDensFromFock
- step
: MMLimitTable::interaction_matrix_limit_range_struct
- step_length_giveup
: SCF::Options
- step_length_start
: SCF::Options
- stopCriterionNormPurification
: GetDensFromFock
- stopped_already
: SCF_timer
- stopping_criterion
: PuriInfo
- stopping_criterion_time
: IterationInfo
- store_all_eigenvalues_to_file
: GetDensFromFock
, SCF::Options
- str
: filename_or_string_struct
, variable
, YYSTYPE
- stream
: StreamSaveContext
, ThreadInfo
- subspace_factor_dens
: SCF::Options
- subspace_factor_fock
: SCF::Options
- subspaceErrorLimit
: GetDensFromFock
- subspaceSize
: LR::LRSolver
- summedIntegralList
: JK_contribs_buffer_struct
- symmetryFlag
: csr_matrix_struct
, K_joblist_thread_struct