GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
111
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Data Type Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
I
|
M
|
N
|
O
|
P
|
R
|
S
|
T
|
U
|
V
|
W
A
append_array
(
utils_gbl
)
array_2d
atomic_orbital_basis_obj
(
atomic_basis_gbl
)
B
basis_data_generic_obj
(
basis_data_generic_gbl
)
BB_density_obj
(
bto_gto_test_routines_mod
)
BB_legendre_integrand
(
function_integration_gbl
)
BB_shell_integrals_obj
(
BB_shell_mixed_integrals_gbl
)
bessel_fn
(
function_integration_gbl
)
BG_density_obj
(
bto_gto_test_routines_mod
)
bound_user_function
(
general_quadrature
)
boys_function_obj
(
gto_routines_gbl
)
bspl_prod_pow
(
function_integration_gbl
)
bspline_grid_obj
(
bspline_grid_gbl
)
BTO_shell_data_obj
(
basis_data_generic_gbl
)
bvalu
(
bspline_base_gbl
)
C
cfp_9gmic
(
special_functions_gbl
)
cfp_9gmit
(
special_functions_gbl
)
cfp_9lgic
(
special_functions_gbl
)
cfp_9lgit
(
special_functions_gbl
)
cfp_9lgmc
(
special_functions_gbl
)
cfp_besi
(
special_functions_gbl
)
cfp_besj
(
special_functions_gbl
)
cfp_binom
(
special_functions_gbl
)
cfp_csevl
(
special_functions_gbl
)
cfp_eval_poly_horner
(
special_functions_gbl
)
cfp_gamic
(
special_functions_gbl
)
cfp_gamlm
(
special_functions_gbl
)
cfp_gamma_fun
(
special_functions_gbl
)
cfp_gamma_slatec
(
special_functions_gbl
)
cfp_initds
(
special_functions_gbl
)
cfp_lgams
(
special_functions_gbl
)
cfp_lngam
(
special_functions_gbl
)
cfp_lnrel
(
special_functions_gbl
)
cfp_sort_float_int_1d
(
sort_gbl
)
CGTO_shell_data_obj
(
basis_data_generic_gbl
)
CGTO_shell_pair_pw_expansion_obj
(
cgto_pw_expansions_gbl
)
CGTO_shell_pw_expansion_obj
(
cgto_pw_expansions_gbl
)
check_intf
(
basis_data_generic_gbl
)
couplings_type
(
coupling_obj_gbl
)
D
darray_1d
(
common_obj_gbl
)
darray_2d
(
common_obj_gbl
)
data_file_obj
(
data_file_gbl
)
data_header_obj
(
data_file_gbl
)
E
ecp
ecp_obj
(
common_obj_gbl
)
F
f1mach
(
precisn_gbl
)
file_mapping
(
file_mapping_gbl
)
fn2d_eval_interface
(
general_quadrature_gbl
)
function_1d
(
general_quadrature_gbl
)
function_1d_many
(
general_quadrature_gbl
)
function_2d
(
general_quadrature_gbl
)
G
geometry_obj
(
symmetry_gbl
)
GG_density_obj
(
bto_gto_test_routines_mod
)
GG_shell_integrals_obj
(
GG_shell_mixed_integrals_gbl
)
grid_r1_r2_obj
(
grid_gbl
)
I
iarray_1d
(
common_obj_gbl
)
init_bdg_intf
(
basis_data_generic_gbl
)
integral_data
integral_options_obj
(
integral_storage_gbl
)
integral_storage_obj
(
integral_storage_gbl
)
intrv
(
bspline_base_gbl
)
M
map_file_window
(
file_mapping_gbl
)
molden_input_obj
(
molden_gbl
)
molecular_orbital_basis_obj
(
molecular_basis_gbl
)
mpi_memory_allocate_integer
(
mpi_memory_gbl
)
mpi_memory_allocate_integer_2dim
(
mpi_memory_gbl
)
mpi_memory_allocate_real
(
mpi_memory_gbl
)
mpi_memory_allocate_real_2dim
(
mpi_memory_gbl
)
mpi_memory_deallocate_integer
(
mpi_memory_gbl
)
mpi_memory_deallocate_integer_2dim
(
mpi_memory_gbl
)
mpi_memory_deallocate_real
(
mpi_memory_gbl
)
mpi_memory_deallocate_real_2dim
(
mpi_memory_gbl
)
mpi_mod_allgather
(
mpi_gbl
)
mpi_mod_allgatherv_in_place
(
mpi_gbl
)
mpi_mod_bcast
(
mpi_gbl
)
mpi_mod_file_read_cfp
(
mpi_gbl
)
mpi_mod_file_set_view
(
mpi_gbl
)
mpi_mod_file_write
(
mpi_gbl
)
mpi_mod_gatherv
(
mpi_gbl
)
mpi_mod_isend
(
mpi_gbl
)
mpi_mod_recv
(
mpi_gbl
)
mpi_mod_recv_dynamic
(
mpi_gbl
)
mpi_mod_rotate_arrays_around_ring
(
mpi_gbl
)
mpi_mod_rotate_cfp_arrays_around_ring
(
mpi_gbl
)
mpi_mod_scan_sum
(
mpi_gbl
)
mpi_mod_send
(
mpi_gbl
)
mpi_mod_send_dynamic
(
mpi_gbl
)
mpi_reduce_inplace_sum_cfp
(
mpi_gbl
)
mpi_reduce_sum
(
mpi_gbl
)
mpi_reduceall_inplace_sum_cfp
(
mpi_gbl
)
mpi_reduceall_max
(
mpi_gbl
)
mpi_reduceall_min
(
mpi_gbl
)
mpi_reduceall_sum_cfp
(
mpi_gbl
)
MPIBlockArray
(
mpi_gbl
)
N
naive_mpi_reduce_inplace_sum
(
mpi_gbl
)
nucleus_type
(
common_obj_gbl
)
O
orbital_data_obj
(
basis_data_generic_gbl
)
P
p2d_array_obj
(
parallel_arrays_gbl
)
poly_exp_function
(
function_integration_gbl
)
power_function
(
function_integration_gbl
)
pw_expansion_obj
(
cgto_pw_expansions_gbl
)
R
radial_function
(
function_integration_gbl
)
radial_function_buff
(
function_integration_gbl
)
real_harmonics_obj
(
special_functions_gbl
)
reorder_and_index_2el
(
gto_routines_gbl
)
reserve_space
(
utils_gbl
)
resize_array
(
common_obj_gbl
)
S
shell_data_obj
(
basis_data_generic_gbl
)
sort_int_1d
(
sort_gbl
)
sparse_block_storage_obj
(
sparse_block_storage_gbl
)
syev
(
blas_lapack_gbl
)
syevr
(
blas_lapack_gbl
)
sym_ortho_io
(
molecular_basis_gbl
)
symmetry_obj
(
symmetry_gbl
)
T
trsm
(
blas_lapack_gbl
)
U
unmap_file_window
(
file_mapping_gbl
)
user_function_interface
(
general_quadrature
)
V
vnl_integrand
(
vnl_module
)
W
wp_user_function_interface
(
general_quadrature_gbl
)
wp_user_function_interface_many
(
general_quadrature_gbl
)
Generated on
for GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis by
1.14.0