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subroutine, public | se_fock_matrix_coulomb::build_fock_matrix_coulomb (qs_env, ks_matrix, matrix_p, energy, calculate_forces, store_int_env) |
| Construction of the Coulomb part of the Fock matrix. More...
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subroutine, public | se_fock_matrix_coulomb::build_fock_matrix_coulomb_lr (qs_env, ks_matrix, matrix_p, energy, calculate_forces, store_int_env) |
| Long-Range part for SE Coulomb interactions. More...
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subroutine, public | se_fock_matrix_coulomb::build_fock_matrix_coul_lr_r3 (qs_env, ks_matrix, matrix_p, energy, calculate_forces) |
| Construction of the residual part (1/R^3) of the Coulomb long-range term of the Fock matrix The 1/R^3 correction works in real-space strictly on the zero-cell, in order to avoid more parameters to be provided in the input.. More...
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