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| subroutine | Contracted_Hamiltonian_module::initialize_contracted_hamiltonian (this, rmat_ci) |
| | Initializes the contracted hamiltonian and supplies target coefficients.
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| subroutine | Contracted_Hamiltonian_module::build_contracted_hamiltonian (this, matrix_elements) |
| | Builds the Contracted Hamiltonian class by class.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_1 (this, i1, num_targets, matrix_elements) |
| | Builds the class 1 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_2 (this, matrix_elements) |
| | Builds the class 2 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_3 (this, i1, num_targets, matrix_elements) |
| | Builds the class 3 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_4 (this, i1, num_states, l1, matrix_elements) |
| | Builds the class 4 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_5 (this, i1, num_target_1, i2, num_target_2, matrix_elements) |
| | Builds the class 5 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_6 (this, i1, num_target_1, i2, num_target_2, matrix_elements) |
| | Builds the class 6 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_7 (this, i1, num_target_1, i2, num_target_2, matrix_elements) |
| | Builds the class 7 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_8 (this, matrix_elements) |
| | Builds the class 8 part of the matrix.
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| subroutine | Contracted_Hamiltonian_module::evaluate_class_2_and_8 (this, matrix_elements) |
| | Builds both the class 2 and class 8 (Pure L2) parts of the matrix elements.
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| subroutine | Contracted_Hamiltonian_module::compute_matrix_ij (this, i1, n1, j1, i2, n2, j2, i, j) |
| | Finds the starting matrix index for paticular target symmetries and target states.
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| subroutine | Contracted_Hamiltonian_module::expand_diagonal (this, continuum_orbital, master_prototype, j1, expanded_prototype) |
| | Deprecated.
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| subroutine | Contracted_Hamiltonian_module::expand_off_diagonal (this, continuum_orbital_a, continuum_orbital_b, master_prototype, ja, jb, expanded_prototype) |
| | Deprecated.
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| subroutine | Contracted_Hamiltonian_module::expand_continuum_L2 (this, continuum_orbital, master_prototype, j1, expanded_prototype) |
| | Deprecated.
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| subroutine | Contracted_Hamiltonian_module::expand_off_diagonal_general (this, continuum_orbital_a, continuum_orbital_b, master_prototype, ja, jb, expanded_prototype) |
| | Deprecated.
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| subroutine | Contracted_Hamiltonian_module::expand_diagonal_eval (this, continuum_orbital, master_prototype, j1, mat_coeffs) |
| | Expands the diagonal prototype symbols and evaluates for a single matrix element for co-ordiate (j1)
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| subroutine | Contracted_Hamiltonian_module::contr_expand_diagonal_eval (this, continuum_orbital, master_prototype, j1, mat_coeffs) |
| | Expands the diagonal prototype symbols and evaluates for a single matrix element for co-ordiate (j1)
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| subroutine | Contracted_Hamiltonian_module::expand_continuum_L2_eval (this, continuum_orbital, master_prototype, j1, mat_coeffs) |
| | Expands the continuum-L2 prototype symbols and evaluates for a single matrix element for co-ordinate (j1),L2.
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| subroutine | Contracted_Hamiltonian_module::contr_expand_continuum_L2_eval (this, continuum_orbital, master_prototype, j1, mat_coeffs) |
| | Expands the continuum-L2 prototype symbols and evaluates for a single matrix element for co-ordinate (j1),L2.
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| subroutine | Contracted_Hamiltonian_module::expand_off_diagonal_eval (this, continuum_orbital_a, continuum_orbital_b, master_prototype, ja, jb, mat_coeffs) |
| | Expands the off-diagonal same/similar symmetry prototype symbols and evaluates for a single matrix element for co-ordinate offset (ja,jb)
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| subroutine | Contracted_Hamiltonian_module::contr_expand_off_diagonal_eval (this, continuum_orbital_a, continuum_orbital_b, master_prototype, ja, jb, mat_coeffs) |
| | Expands the off-diagonal same/similar symmetry prototype symbols and evaluates for a single matrix element for co-ordinate offset (ja,jb)
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| subroutine | Contracted_Hamiltonian_module::expand_off_diagonal_gen_eval (this, continuum_orbital_a, continuum_orbital_b, master_prototype, ja, jb, mat_coeffs) |
| | Expands the off-diagonal generic prototype symbols and evaluates for a single matrix element for co-ordinate (ja,jb)
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| subroutine | Contracted_Hamiltonian_module::reduce_prototypes (this, prototypes) |
| | (Not used) Compresses several prototypes into a single prototype at position 1
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| integer function | Contracted_Hamiltonian_module::get_starting_index (this, symmetry) |
| | Gets the starting index configuration state functions at a specific symmetry.
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| real(wp) function | Contracted_Hamiltonian_module::get_target_coeff (this, i, m, n) |
| | Simply a wrapper to aid in clarity.
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| subroutine | Contracted_Hamiltonian_module::fast_contract_class_1_3_diag (this, i1, num_targets, ido, temp_prototype, master_prototypes) |
| subroutine | Contracted_Hamiltonian_module::fast_contract_class_1_3_offdiag (this, i1, num_targets, s1, s2, temp_prototype, master_prototypes) |
| subroutine | Contracted_Hamiltonian_module::fast_contract_class_567 (this, i1, i2, num_targets1, num_targets2, s1, s2, temp_prototype, master_prototypes) |
1.14.0