GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Data Types | |
module | darray_1d |
1D array of reals More... | |
type | darray_2d |
module | iarray_1d |
1D array of integers More... | |
module | nucleus_type |
interface | resize_array |
Functions/Subroutines | |
subroutine | print_orbital_table (energies, num_sym, n_orbs, n_sym, convert_to_eV) |
integer function | init_darray_2d (this) |
integer function | final_darray_2d (this) |
integer function | resize_2d_array_cfp (array, d1, d2) |
integer function | resize_3d_array_cfp (array, d1, d2, d3) |
integer function | resize_2d_array_int (array, d1, d2) |
integer function | resize_3d_array_int (array, d1, d2, d3) |
subroutine | resize_copy_2d_array (array, d1, d2) |
integer function common_obj_gbl::final_darray_2d | ( | class(darray_2d) | this | ) |
integer function common_obj_gbl::init_darray_2d | ( | class(darray_2d) | this | ) |
subroutine common_obj_gbl::print_orbital_table | ( | real(kind=cfp), dimension(n_orbs) | energies, |
integer, dimension(2,n_orbs), intent(in) | num_sym, | ||
integer, intent(in) | n_orbs, | ||
integer, intent(in) | n_sym, | ||
logical, intent(in) | convert_to_eV | ||
) |
integer function common_obj_gbl::resize_2d_array_cfp | ( | real(kind=cfp), dimension(:,:), allocatable | array, |
integer, intent(in) | d1, | ||
integer, intent(in) | d2 | ||
) |
integer function common_obj_gbl::resize_2d_array_int | ( | integer, dimension(:,:), allocatable | array, |
integer, intent(in) | d1, | ||
integer, intent(in) | d2 | ||
) |
integer function common_obj_gbl::resize_3d_array_cfp | ( | real(kind=cfp), dimension(:,:,:), allocatable | array, |
integer, intent(in) | d1, | ||
integer, intent(in) | d2, | ||
integer, intent(in) | d3 | ||
) |
integer function common_obj_gbl::resize_3d_array_int | ( | integer, dimension(:,:,:), allocatable | array, |
integer, intent(in) | d1, | ||
integer, intent(in) | d2, | ||
integer, intent(in) | d3 | ||
) |
subroutine common_obj_gbl::resize_copy_2d_array | ( | real(kind=cfp), dimension(:,:), allocatable | array, |
integer, intent(in) | d1, | ||
integer, intent(in) | d2 | ||
) |