| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_coordinate_util.F | 24 USE input_constants, ONLY: do_fist,&
378 IF ((method_name_id == do_fist) .AND. (.NOT. disable_exclusion_lists)) THEN
689 IF (method_name_id == do_fist) THEN
720 IF (method_name_id == do_fist) THEN
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| H A D | input_cp2k_force_eval.F | 21 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/), &
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| H A D | qmmm_create.F | 39 do_fist, do_multipole_section_off, do_multipole_section_on, do_qmmm, &
232 CALL section_vals_val_set(force_env_section, "METHOD", i_val=do_fist)
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| H A D | environment.F | 54 do_fft_fftw3, do_fft_sg, do_fist, do_qs, do_sirius, do_test, energy_run, &
611 CASE (do_fist)
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| H A D | f77_interface.F | 77 do_fist,&
778 CASE (do_fist)
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| H A D | input_constants.F | 46 do_fist = 2, & variable
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_coordinate_util.F | 24 USE input_constants, ONLY: do_fist,&
378 IF ((method_name_id == do_fist) .AND. (.NOT. disable_exclusion_lists)) THEN
689 IF (method_name_id == do_fist) THEN
720 IF (method_name_id == do_fist) THEN
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| H A D | input_cp2k_force_eval.F | 21 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/), &
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| H A D | qmmm_create.F | 39 do_fist, do_multipole_section_off, do_multipole_section_on, do_qmmm, &
232 CALL section_vals_val_set(force_env_section, "METHOD", i_val=do_fist)
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| H A D | environment.F | 54 do_fft_fftw3, do_fft_sg, do_fist, do_qs, do_sirius, do_test, energy_run, &
614 CASE (do_fist)
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| H A D | f77_interface.F | 79 do_fist,&
780 CASE (do_fist)
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| H A D | input_constants.F | 46 do_fist = 2, & variable
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/ |
| H A D | cp2k_runs.F | 78 do_fist, do_mixed, do_opt_basis, do_optimize_input, do_qmmm, do_qs, do_sirius, do_swarm, &
314 method_name_id /= do_fist) &
374 CASE (do_qs, do_qmmm, do_fist)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/start/ |
| H A D | cp2k_runs.F | 80 do_fist, do_mixed, do_opt_basis, do_optimize_input, do_qmmm, do_qs, do_sirius, do_swarm, &
315 method_name_id /= do_fist) &
375 CASE (do_qs, do_qmmm, do_fist)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
| H A D | mc_types.F | 35 USE input_constants, ONLY: do_fist,&
1258 CASE (do_fist)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
| H A D | mc_types.F | 35 USE input_constants, ONLY: do_fist,&
1258 CASE (do_fist)
|