Here is a list of all file members with links to the files they belong to:
- s -
- s_cmp()
: template_lapack_common.cc
- s_copy()
: template_lapack_common.cc
- save_symmetric_matrix()
: scf_utils.h
, scf_utils.cc
- saxpy_()
: mat_gblas.h
- SCALAR_TOL
: recexp_sprandsym.cc
, test.cc
, recexp_eigenv_test.cc
- SecondOrderFun
: functionals.h
- select_basis_set()
: basisinfo.cc
- selected_func
: functionals.c
, functionals.h
- semiFactorial()
: boysfunction.cc
- set_abcd_list_item_macro
: integrals_2el_K_kernel.cc
, integrals_2el_boxed.cc
, integrals_2el_explicit.cc
- set_cam_param()
: functionals.c
- set_hf_weight()
: functionals.c
- SET_NTHREADS
: ergo_input_processor.c
, ergo_input_processor.h
, ergo_input_processor.c
, ergo_input_processor.h
- SET_SHELL_RADII_ORBITAL_THR
: dft_common.cc
- setup_basis_func_polys()
: integral_info.cc
- setup_bin_coeffs()
: integral_info.cc
- setup_multipole_maxAbsMomentList()
: multipole.cc
, multipole.h
- setup_shells_multi_basis()
: basisinfo.cc
- setup_shells_multi_basis_getcount()
: basisinfo.cc
- setupLabelList()
: atom_labels.cc
- setupShellMap()
: sparse_pattern.h
, sparse_pattern.cc
- sgemm_()
: mat_gblas.h
- sgemv_()
: mat_gblas.h
- sggev_()
: mat_gblas.h
- ShellRadii
: grid_test.cc
- simplePrimTintegral()
: integrals_1el_kinetic.cc
, integrals_1el_kinetic.h
- simplePrimVintegral_list()
: integrals_1el_potential.cc
, integrals_1el_potential.h
- simplePrimVintegralSingle()
: integrals_1el_potential.cc
- SIZE_INCREMENT
: blastime.cc
- SIZE_MAX
: ergo_input_parser.c
- SKIP_UNOFFICIAL_INPUT_PARAMS
: ergo_scripted.cc
- slater_energy()
: fun-slater.c
- slater_first()
: fun-slater.c
- slater_fourth()
: fun-slater.c
- slater_isgga()
: fun-slater.c
- slater_read()
: fun-slater.c
- slater_second()
: fun-slater.c
- slater_third()
: fun-slater.c
- SLATER_THRESHOLD
: fun-slater.c
- SlaterFunctional
: fun-slater.c
, functionals.h
- slow_factorial()
: multipole_prep.cc
- small_calculation()
: xcmat_sparse_test.cc
- small_calculation_core()
: xcmat_sparse_test.cc
- solid_harmonic_d_0
: grid_hicu.cc
- solid_harmonic_d_1
: grid_hicu.cc
- solid_harmonic_d_2
: grid_hicu.cc
- solid_harmonic_d_3
: grid_hicu.cc
- solid_harmonic_d_4
: grid_hicu.cc
- solid_harmonic_f_0
: grid_hicu.cc
- solid_harmonic_f_1
: grid_hicu.cc
- solid_harmonic_f_2
: grid_hicu.cc
- solid_harmonic_f_3
: grid_hicu.cc
- solid_harmonic_f_4
: grid_hicu.cc
- solid_harmonic_f_5
: grid_hicu.cc
- solid_harmonic_f_6
: grid_hicu.cc
- solid_harmonic_p_0
: grid_hicu.cc
- solid_harmonic_p_1
: grid_hicu.cc
- solid_harmonic_p_2
: grid_hicu.cc
- solid_harmonic_s_0
: grid_hicu.cc
- solve_linear_equation_system()
: solve_lin_eq_syst.cc
, solve_lin_eq_syst.h
- solveForRHS()
: ergo_scripted.cc
- sort_distr_list()
: integrals_1el_potential_prep.h
- sort_list_of_multipole_jobs()
: integrals_2el_J.cc
- sort_list_of_multipole_jobs_fixed_boxIndex()
: integrals_2el_J.cc
- sort_shells()
: basisinfo.cc
- sortCoord()
: matrix_utilities.cc
- SPIN_A
: ci.cc
- SPIN_B
: ci.cc
- SPINPOLF
: fun-vwn.c
- spmat_multiply_matrices()
: simple_sparse_mat.cc
, simple_sparse_mat.h
- spmat_sort_elements()
: simple_sparse_mat.cc
, simple_sparse_mat.h
- spni_energy()
: fun-vwn.c
- spni_first()
: fun-vwn.c
- spni_second()
: fun-vwn.c
- spocon_()
: mat_gblas.h
- spotrf_()
: mat_gblas.h
- spptrf_()
: mat_gblas.h
- sprandsym()
: random_matrices.h
, random_matrices.cc
- sqDist()
: sparse_matrix.cc
- SQRT
: functionals.h
- SQRT_EPSILON_REAL
: recexp_test.cc
, recexp_eigenv_test.cc
, recexp_randsym_test.cc
, recexp_sprandsym.cc
, recexp_diag_test.cc
- SQRT_PI
: fun-cam.c
- sqrtpi
: pi.h
- sscal_()
: mat_gblas.h
- sspgst_()
: mat_gblas.h
- sstevr_()
: mat_gblas.h
- sstevx_()
: mat_gblas.h
- ssyev_()
: mat_gblas.h
- ssygv_()
: mat_gblas.h
- ssymm_()
: mat_gblas.h
- ssymv_()
: mat_gblas.h
- ssyrk_()
: mat_gblas.h
- stack_ref
: template_lapack_lasrt.h
- STATIC_ASSERT_ALWAYS
: common.h
- STATIC_ASSERT_DEBUG
: common.h
- std_vector_assignFromBuffer_and_move_ptr()
: serialization_tools.h
- std_vector_getSize()
: serialization_tools.h
- std_vector_writeToBuffer_and_move_ptr()
: serialization_tools.h
- STDC_HEADERS
: config.h
- stptri_()
: mat_gblas.h
- STRING
: ergo_input_processor.c
, ergo_input_processor.h
- strmm_()
: mat_gblas.h
- strmv_()
: mat_gblas.h
- strtri_()
: mat_gblas.h
- sum_ref
: template_lapack_tgevc.h
- suma_ref
: template_lapack_tgevc.h
- sumb_ref
: template_lapack_tgevc.h
- SVWN3Functional
: functionals.h
, fun-gga.c
- SVWN5Functional
: functionals.h
, fun-gga.c
- SYMBOL
: ergo_input_processor.c
, ergo_input_processor.h
- symmMatrix
: matrix_typedefs.h
, test_LanczosSeveralLargestEig.cc
- symmMatrixPtr
: diis_general.cc
- symmMatrixWrap
: matrix_typedefs_chtml.h
- sync_threads()
: dft_common.cc
, dft_common.h
- SYSTEM
: ergo_input_processor.c
, ergo_input_processor.h