SWEDEN integral module.
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| integer function | count_num_pairs (this) |
| subroutine | generate_pairs (this) |
| subroutine | generate_pointer_table (this) |
| subroutine | generate_orbital_index (this) |
| subroutine | generate_pair_index (this) |
| subroutine | initialize_SWEDEN (this, option) |
| subroutine | finalize_SWEDEN (this) |
| subroutine | load_integrals_SWEDEN (this, iounit) |
| | This is just a copy from scatci_routines with only the relevant SWEDEN parts.
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| real(wp) function | get_integral_SWEDEN (this, i, j, k, l, m) |
| integer function | get_one_electron_index (this, i, j, pos) |
| integer function | get_two_electron_index (this, i, j, k, l, m) |
| subroutine | write_geometries_SWEDEN (this, iounit) |
| subroutine | destroy_integral_SWEDEN (this) |
SWEDEN integral module.
- Authors
- A Al-Refaie
- Date
- 2017
- Note
- 16/01/2019 - Jakub Benda: Unifom coding style and expanded documentation.
◆ count_num_pairs()
| integer function SWEDEN_module::count_num_pairs |
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class(swedenintegral) | this | ) |
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◆ destroy_integral_SWEDEN()
| subroutine SWEDEN_module::destroy_integral_SWEDEN |
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class(swedenintegral) | this | ) |
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private |
◆ finalize_SWEDEN()
| subroutine SWEDEN_module::finalize_SWEDEN |
( |
class(swedenintegral) | this | ) |
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◆ generate_orbital_index()
| subroutine SWEDEN_module::generate_orbital_index |
( |
class(swedenintegral) | this | ) |
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◆ generate_pair_index()
| subroutine SWEDEN_module::generate_pair_index |
( |
class(swedenintegral) | this | ) |
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◆ generate_pairs()
| subroutine SWEDEN_module::generate_pairs |
( |
class(swedenintegral) | this | ) |
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◆ generate_pointer_table()
| subroutine SWEDEN_module::generate_pointer_table |
( |
class(swedenintegral) | this | ) |
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private |
◆ get_integral_SWEDEN()
| real(wp) function SWEDEN_module::get_integral_SWEDEN |
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class(swedenintegral) | this, |
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integer, intent(in) | i, |
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integer, intent(in) | j, |
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integer, intent(in) | k, |
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integer, intent(in) | l, |
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integer, intent(in) | m ) |
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private |
◆ get_one_electron_index()
| integer function SWEDEN_module::get_one_electron_index |
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class(swedenintegral), intent(in) | this, |
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integer, intent(in) | i, |
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integer, intent(in) | j, |
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integer, intent(in) | pos ) |
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private |
◆ get_two_electron_index()
| integer function SWEDEN_module::get_two_electron_index |
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class(swedenintegral), intent(in) | this, |
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integer, intent(in) | i, |
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integer, intent(in) | j, |
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integer, intent(in) | k, |
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integer, intent(in) | l, |
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integer, intent(in) | m ) |
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◆ initialize_SWEDEN()
| subroutine SWEDEN_module::initialize_SWEDEN |
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class(swedenintegral) | this, |
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class(options), intent(in) | option ) |
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private |
◆ load_integrals_SWEDEN()
| subroutine SWEDEN_module::load_integrals_SWEDEN |
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class(swedenintegral) | this, |
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integer, intent(in) | iounit ) |
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private |
This is just a copy from scatci_routines with only the relevant SWEDEN parts.
Definition at line 412 of file SWEDEN_Module.F90.
◆ write_geometries_SWEDEN()
| subroutine SWEDEN_module::write_geometries_SWEDEN |
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class(swedenintegral), intent(in) | this, |
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integer, intent(in) | iounit ) |
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private |
1.14.0