- s -
- s
: contrib_debug_struct
, pqrs_struct
, host_name_struct
, working_directory_struct
, ShellSpecStructWithExtent
- S_symm
: SCF_general
- save_final_potential
: SCF::Options
- save_full_matrices_for_matlab
: SCF::Options
- savedPoints
: StreamSaveContext
, Stream
, ThreadInfo
- 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
- scfOptions
: Ergo
- scfopts
: SCF_general
- second
: Functional_
- sg_disturb_specific_elements
: SCF::Options
- shell_ID
: ShellSpecStruct_
, basisset_shell_struct
- shellInfo
: NeighbourList
- shellList
: BasisInfoStruct
, DensitySpecStruct
- shells
: basisset_atom_struct
, ShellTree
- shellTree
: ErgoMolInfo
- shellType
: BasisFuncStruct_
, ShellSpecStruct_
- shift
: CI::Options
, mat::TC2< Treal, Tmatrix >::Fun
- shift_using_prev_density_matrix
: SCF::Options
- shl_bl_cnt
: DftIntegratorBl_
- shlblocks
: DftIntegratorBl_
- shlBlocks
: StreamSaveContext
- sigma
: per::Perturbation< Treal, Tmatrix, Tvector >
- sign
: contrib_debug_struct
- simplePrimitiveIndex
: BasisFuncStruct_
- simplePrimitiveList
: BasisInfoStruct
- size
: mat::arn::MatrixTridiagSymmetric< Treal >
- size_block_info
: SCF::MatOptions
, ComplexMatrix
- sizeList
: ShellSpecStruct_
- skip_H_core
: SCF::Options
- 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
: Stream
, compute_grid_thread_func_struct
- sparsity_plots_resolution_m
: SCF::Options
- sparsity_plots_resolution_r
: SCF::Options
- spin
: SO_struct
- spin_flip_atom_count
: SCF::Options
- sSub
: LR::LRSolver
- start_box_size_debug
: Dft::HiCuGridParams
- startAtomIndex
: basis_set_range_struct
, BasissetNameRange
- startBox
: compute_grid_thread_func_struct
- startDistance
: interaction_matrix_limit_range_struct
- startIndex
: SlaterDet_struct
, distr_group_struct
, group_struct
- startIndexInBoxList
: box_level_struct
- startIndexInMatrix
: ShellSpecStruct_
- starting_guess_disturbance
: SCF::Options
- starting_guess_spin_diff
: SCF::Options
- startTimeCPU_sys
: SCF_timer
- startTimeCPU_usr
: SCF_timer
- startTimeWall
: SCF_timer
- step
: interaction_matrix_limit_range_struct
, mat::PuriInfo< Treal, Tvector, TdebugPolicy >
- step_length_giveup
: SCF::Options
- step_length_start
: SCF::Options
- stopped_already
: SCF_timer
- str
: YYSTYPE
, variable
- stream
: ThreadInfo
, StreamSaveContext
- subspace_factor_dens
: SCF::Options
- subspace_factor_fock
: SCF::Options
- subspaceSize
: LR::LRSolver
- summedIntegralList
: JK_contribs_buffer_struct
- symmetryFlag
: K_joblist_thread_struct
, csr_matrix_struct