| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rt_propagation_forces.F | 349 matrix_s_aux_fit_vs_orb local
379 …s_none(qs_env, admm_env, KS_aux_re, KS_aux_im, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, mos_admm… argument
383 matrix_s_aux_fit_vs_orb local
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| H A D | qs_ks_types.F | 164 matrix_s_aux_fit_vs_orb => Null(), & component
351 kinetic, matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, & argument
376 matrix_ks_aux_fit_hfx, kinetic, matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, & local
608 … matrix_s_aux_fit_vs_orb, matrix_s_RI_aux, matrix_w, matrix_w_mp2, matrix_p_mp2, & argument
627 matrix_ks_aux_fit_hfx, kinetic, matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, & local
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| H A D | qs_force.F | 146 matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, matrix_w, matrix_w_mp2, rho_ao local
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| H A D | optbas_fenv_manipulation.F | 317 matrix_s_aux_fit_vs_orb local
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| H A D | qs_core_hamiltonian.F | 171 … TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, matrix_s_aux_fit_vs_orb local
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| H A D | admm_dm_methods.F | 461 matrix_s_aux_fit_vs_orb local
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| H A D | rtp_admm_methods.F | 90 matrix_s_aux_fit_vs_orb local
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| H A D | optimize_basis.F | 250 matrix_s_aux_fit_vs_orb local
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| H A D | hfx_admm_utils.F | 129 … TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, matrix_s_aux_fit_vs_orb local
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| H A D | qs_environment_types.F | 511 … matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, matrix_s_RI_aux, matrix_w, & argument
566 matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, matrix_s_RI_aux, matrix_w, matrix_w_mp2, & local
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| H A D | response_solver.F | 921 … TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, matrix_s_aux_fit_vs_orb local
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| H A D | admm_methods.F | 149 matrix_s_aux_fit_vs_orb, rho_ao, & local
1991 matrix_s_aux_fit_vs_orb, rho_ao, & local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rt_propagation_forces.F | 349 matrix_s_aux_fit_vs_orb local
379 …s_none(qs_env, admm_env, KS_aux_re, KS_aux_im, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, mos_admm… argument
383 matrix_s_aux_fit_vs_orb local
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| H A D | qs_ks_types.F | 164 matrix_s_aux_fit_vs_orb => Null(), & component
351 kinetic, matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, & argument
376 matrix_ks_aux_fit_hfx, kinetic, matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, & local
608 … matrix_s_aux_fit_vs_orb, matrix_s_RI_aux, matrix_w, matrix_w_mp2, matrix_p_mp2, & argument
627 matrix_ks_aux_fit_hfx, kinetic, matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, & local
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| H A D | qs_force.F | 145 matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, matrix_w, matrix_w_mp2, rho_ao local
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| H A D | optbas_fenv_manipulation.F | 317 matrix_s_aux_fit_vs_orb local
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| H A D | qs_core_hamiltonian.F | 171 … TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, matrix_s_aux_fit_vs_orb local
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| H A D | admm_dm_methods.F | 456 matrix_s_aux_fit_vs_orb local
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| H A D | rtp_admm_methods.F | 89 matrix_s_aux_fit_vs_orb local
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| H A D | optimize_basis.F | 250 matrix_s_aux_fit_vs_orb local
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| H A D | hfx_admm_utils.F | 113 … TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, matrix_s_aux_fit_vs_orb local
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| H A D | qs_environment_types.F | 499 … matrix_s, matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, matrix_s_RI_aux, matrix_w, & argument
554 matrix_s_aux_fit, matrix_s_aux_fit_vs_orb, matrix_s_RI_aux, matrix_w, matrix_w_mp2, & local
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| H A D | admm_methods.F | 112 matrix_s_aux_fit_vs_orb, rho_ao, & local
1698 matrix_s_aux_fit_vs_orb, rho_ao, & local
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