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Searched refs:do_sirius (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_cp2k_force_eval.F21 do_eip, do_embed, do_fist, do_mixed, do_qmmm, do_qs, do_sirius, do_stress_analytical, &
101 … enum_i_vals=(/do_qs, do_sirius, do_fist, do_qmmm, do_eip, do_qs, do_mixed, do_embed/), &
H A Denvironment.F54 do_fft_fftw3, do_fft_sg, do_fist, do_qs, do_sirius, do_test, energy_run, &
620 CASE (do_sirius)
H A Df77_interface.F84 do_sirius
816 CASE (do_sirius)
H A Dinput_constants.F52 do_sirius = 8 variable
H A Dqs_kind_types.F60 do_method_rm1, do_method_xtb, do_qs, do_sirius
2488 ELSE IF (method == do_sirius) THEN
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_cp2k_force_eval.F21 do_eip, do_embed, do_fist, do_mixed, do_qmmm, do_qs, do_sirius, do_stress_analytical, &
101 … enum_i_vals=(/do_qs, do_sirius, do_fist, do_qmmm, do_eip, do_qs, do_mixed, do_embed/), &
H A Denvironment.F54 do_fft_fftw3, do_fft_sg, do_fist, do_qs, do_sirius, do_test, energy_run, &
617 CASE (do_sirius)
H A Df77_interface.F82 do_sirius
814 CASE (do_sirius)
H A Dinput_constants.F52 do_sirius = 8 variable
H A Dqs_kind_types.F61 do_method_rm1, do_method_xtb, do_qs, do_sirius
2475 ELSE IF (method == do_sirius) THEN
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/
H A Dcp2k_runs.F78 do_fist, do_mixed, do_opt_basis, do_optimize_input, do_qmmm, do_qs, do_sirius, do_swarm, &
310 method_name_id /= do_sirius .AND. &
/dports/science/cp2k-data/cp2k-7.1.0/src/start/
H A Dcp2k_runs.F80 do_fist, do_mixed, do_opt_basis, do_optimize_input, do_qmmm, do_qs, do_sirius, do_swarm, &
311 method_name_id /= do_sirius .AND. &