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Here is a list of all module members with links to the module documentation for each member:
- l -
l_index :
semi_empirical_int_arrays
l_sym :
orbital_symbols
laino2005 :
bibliography
laino2006 :
bibliography
laino2008 :
bibliography
lanczos_refinement() :
qs_scf_lanczos
lanczos_refinement_2v() :
qs_scf_lanczos
langevin() :
integrator
langevin_ensemble :
input_constants
large_cell_gamma :
input_constants
lass2018 :
bibliography
launch_cp2k_shell() :
cp2k_shell
lazy_arrays() :
lazy
lbfgs_create() :
almo_scf_lbfgs_types
lbfgs_get_direction() :
almo_scf_lbfgs_types
lbfgs_release() :
almo_scf_lbfgs_types
lbfgs_seed() :
almo_scf_lbfgs_types
lchar_t :
input_val_types
lcm() :
mathlib
lebedev_grid :
lebedev
lee1988 :
bibliography
legendre() :
spherical_harmonics
lehtola2018 :
bibliography
levi_civita :
qs_linres_current
lib_pexsi_finalize() :
pexsi_types
lib_pexsi_init() :
pexsi_types
lib_test() :
library_tests
libderiv_max_am1 :
libint_wrapper
libgrpp_cart_order_dirac :
libgrpp
libgrpp_cart_order_turbomole :
libgrpp
libgrpp_local_forces_ref() :
libgrpp_integrals
libgrpp_local_integrals() :
libgrpp_integrals
libgrpp_nuclear_model_charged_ball :
libgrpp
libgrpp_nuclear_model_fermi :
libgrpp
libgrpp_nuclear_model_fermi_bubble :
libgrpp
libgrpp_nuclear_model_gaussian :
libgrpp
libgrpp_nuclear_model_point_charge :
libgrpp
libgrpp_nuclear_model_point_charge_numerical :
libgrpp
libgrpp_outercore_potential_integrals() :
libgrpp
libgrpp_semilocal_forces_ref() :
libgrpp_integrals
libgrpp_semilocal_integrals() :
libgrpp_integrals
libint_max_am :
libint_wrapper
libint_ri_mp2() :
mp2_ri_libint
libxc_add_sections() :
xc_libxc
libxc_check_existence_in_libxc() :
xc_libxc
libxc_get_reference_length() :
xc_libxc
libxc_lda_eval() :
xc_libxc
libxc_lda_info() :
xc_libxc
libxc_lsd_eval() :
xc_libxc
libxc_lsd_info() :
xc_libxc
libxc_version_info() :
xc_libxc
limpanuparb2011 :
bibliography
lin2009 :
bibliography
lin2013 :
bibliography
linear_response_run :
input_constants
linesearch_create_section() :
linesearch
linesearch_finalize() :
linesearch
linesearch_init() :
linesearch
linesearch_reset() :
linesearch
linesearch_step() :
linesearch
linpot_full_calc_terms() :
pao_linpot_full
linpot_full_count_terms() :
pao_linpot_full
linpot_rotinv_calc_forces() :
pao_linpot_rotinv
linpot_rotinv_calc_terms() :
pao_linpot_rotinv
linpot_rotinv_count_terms() :
pao_linpot_rotinv
linres_calculation() :
qs_linres_module
linres_calculation_low() :
qs_linres_module
linres_control_release() :
qs_linres_types
linres_localize() :
qs_linres_methods
linres_read_restart() :
qs_linres_methods
linres_solver() :
qs_linres_methods
linres_write_restart() :
qs_linres_methods
linsolver_banded :
input_constants
linsolver_full :
input_constants
linsolver_mumps :
input_constants
linsolver_pardiso :
input_constants
linsolver_splitsolve :
input_constants
linsolver_superlu :
input_constants
linsolver_umfpack :
input_constants
lippert1997 :
bibliography
lippert1999 :
bibliography
list_callstackentry_clear() :
list_callstackentry
list_callstackentry_del() :
list_callstackentry
list_callstackentry_destroy() :
list_callstackentry
list_callstackentry_get() :
list_callstackentry
list_callstackentry_init() :
list_callstackentry
list_callstackentry_insert() :
list_callstackentry
list_callstackentry_isready() :
list_callstackentry
list_callstackentry_peek() :
list_callstackentry
list_callstackentry_pop() :
list_callstackentry
list_callstackentry_push() :
list_callstackentry
list_callstackentry_set() :
list_callstackentry
list_callstackentry_size() :
list_callstackentry
list_control() :
fist_neighbor_list_control
list_pot :
pair_potential_types
list_routinereport_clear() :
list_routinereport
list_routinereport_del() :
list_routinereport
list_routinereport_destroy() :
list_routinereport
list_routinereport_get() :
list_routinereport
list_routinereport_init() :
list_routinereport
list_routinereport_insert() :
list_routinereport
list_routinereport_isready() :
list_routinereport
list_routinereport_peek() :
list_routinereport
list_routinereport_pop() :
list_routinereport
list_routinereport_push() :
list_routinereport
list_routinereport_set() :
list_routinereport
list_routinereport_size() :
list_routinereport
list_routinestat_clear() :
list_routinestat
list_routinestat_del() :
list_routinestat
list_routinestat_destroy() :
list_routinestat
list_routinestat_get() :
list_routinestat
list_routinestat_init() :
list_routinestat
list_routinestat_insert() :
list_routinestat
list_routinestat_isready() :
list_routinestat
list_routinestat_peek() :
list_routinestat
list_routinestat_pop() :
list_routinestat
list_routinestat_push() :
list_routinestat
list_routinestat_set() :
list_routinestat
list_routinestat_size() :
list_routinestat
list_sh_type :
pair_potential_types
list_timerenv_clear() :
list_timerenv
list_timerenv_del() :
list_timerenv
list_timerenv_destroy() :
list_timerenv
list_timerenv_get() :
list_timerenv
list_timerenv_init() :
list_timerenv
list_timerenv_insert() :
list_timerenv
list_timerenv_isready() :
list_timerenv
list_timerenv_peek() :
list_timerenv
list_timerenv_pop() :
list_timerenv
list_timerenv_push() :
list_timerenv
list_timerenv_set() :
list_timerenv
list_timerenv_size() :
list_timerenv
liu2020 :
bibliography
lj_charmm_type :
pair_potential_types
lj_type :
pair_potential_types
lmat :
atom_types
,
atom_upf
lmax :
ai_eri_debug
,
ai_overlap3_debug
,
ai_overlap_debug
lnhc_barostat() :
extended_system_dynamics
lnhc_dealloc() :
extended_system_types
lnhc_init() :
extended_system_types
lnhc_particles() :
extended_system_dynamics
lnhc_shells() :
extended_system_dynamics
loc_dipole() :
qs_loc_dipole
loc_write_restart() :
qs_loc_utils
local_array_to_fm() :
gw_communication
local_dbt_to_global_fm() :
gw_communication
local_dbt_to_global_mat() :
gw_communication
local_gemm() :
local_gemm_api
local_gemm_pu_gpu :
local_gemm_api
local_gemm_pu_host :
local_gemm_api
local_gemm_set_library() :
local_gemm_api
local_rho_set_create() :
qs_local_rho_types
local_rho_set_release() :
qs_local_rho_types
localized_wfn_control_create() :
qs_loc_types
localized_wfn_control_release() :
qs_loc_types
locate() :
util
log_zero :
hfx_types
logical_t :
input_val_types
loop_over_molecules() :
mscfg_methods
low_print_level :
cp_output_handling
low_spin_roks() :
qs_ks_utils
lowdin_population_analysis() :
population_analyses
lowercase() :
string_utilities
lr_chemshift :
input_constants
lr_current :
input_constants
lr_gtensor :
input_constants
lr_none :
input_constants
lri_basis_init() :
lri_environment_init
lri_comp() :
lri_compression
lri_cont_mem() :
lri_compression
lri_decomp_i() :
lri_compression
lri_density_create() :
lri_environment_types
lri_density_release() :
lri_environment_types
lri_dint() :
lri_integrals
lri_dint2() :
lri_integrals
lri_env_basis() :
lri_environment_init
lri_env_create() :
lri_environment_types
lri_env_init() :
lri_environment_init
lri_env_release() :
lri_environment_types
lri_int() :
lri_integrals
lri_int2() :
lri_integrals
lri_kg_rho_update() :
lri_environment_methods
lri_precalc_angular_shg_part() :
generic_shg_integrals
lri_print_stat() :
lri_environment_methods
ls_2pnt :
input_constants
ls_3pnt :
input_constants
ls_cluster_atomic :
input_constants
ls_cluster_molecular :
input_constants
ls_fit :
input_constants
ls_gold :
input_constants
ls_none :
input_constants
ls_nonscf_energy() :
dm_ls_scf_qs
ls_nonscf_ks() :
dm_ls_scf_qs
ls_s_inversion_hotelling :
input_constants
ls_s_inversion_none :
input_constants
ls_s_inversion_sign_sqrt :
input_constants
ls_s_preconditioner_atomic :
input_constants
ls_s_preconditioner_molecular :
input_constants
ls_s_preconditioner_none :
input_constants
ls_s_sqrt_ns :
input_constants
ls_s_sqrt_proot :
input_constants
ls_scf() :
dm_ls_scf
ls_scf_create() :
dm_ls_scf_create
ls_scf_dm_to_ks() :
dm_ls_scf_qs
ls_scf_init_matrix_s() :
dm_ls_scf_methods
ls_scf_init_qs() :
dm_ls_scf_qs
ls_scf_line_search_3point :
input_constants
ls_scf_line_search_3point_2d :
input_constants
ls_scf_pexsi :
input_constants
ls_scf_qs_atomic_guess() :
dm_ls_scf_qs
ls_scf_release() :
dm_ls_scf_types
ls_scf_sign :
input_constants
ls_scf_sign_ns :
input_constants
ls_scf_sign_proot :
input_constants
ls_scf_sign_submatrix :
input_constants
ls_scf_submatrix_sign_direct :
input_constants
ls_scf_submatrix_sign_direct_muadj :
input_constants
ls_scf_submatrix_sign_direct_muadj_lowmem :
input_constants
ls_scf_submatrix_sign_ns :
input_constants
ls_scf_tc2 :
input_constants
ls_scf_trs4 :
input_constants
lu2004 :
bibliography
luber2014 :
bibliography
lyp_adiabatic_lda_eval() :
xc_lyp_adiabatic
lyp_adiabatic_lda_info() :
xc_lyp_adiabatic
lyp_adiabatic_lsd_eval() :
xc_lyp_adiabatic
lyp_adiabatic_lsd_info() :
xc_lyp_adiabatic
lyp_lda_eval() :
xc_lyp
lyp_lda_info() :
xc_lyp
lyp_lsd_eval() :
xc_lyp
lyp_lsd_info() :
xc_lyp
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