/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | semi_empirical_utils.F | 79 se_control%cutoff_cou 84 se_control%cutoff_cou = rc 101 se_control%cutoff_cou = rc 109 se_control%cutoff_cou 111 se_control%taper_cou 113 se_control%range_cou 119 rc = se_control%cutoff_exc 137 se_control%cutoff_exc = rc 145 se_control%cutoff_exc 147 se_control%taper_exc [all …]
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H A D | se_core_core.F | 110 TYPE(semi_empirical_control_type), POINTER :: se_control local 116 NULLIFY (dft_control, cell, force, particle_set, se_control, se_taper, atomic_kind_set, & 126 se_control => dft_control%qs_control%se_control 127 anag = se_control%analytical_gradients 129 CALL setup_se_int_control_type(se_int_control, do_ewald_r3=se_control%do_ewald_r3, & 130 … do_ewald_gks=se_control%do_ewald_gks, integral_screening=se_control%integral_screening, & 131 … shortrange=(se_control%do_ewald .OR. se_control%do_ewald_gks), & 132 max_multipole=se_control%max_multipole, pc_coulomb_int=.FALSE.) 143 IF (se_control%do_ewald_gks) THEN 161 delta = se_control%delta
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H A D | cp_control_utils.F | 909 qs_control%se_control%taper_lrc = qs_control%se_control%cutoff_lrc 921 qs_control%se_control%taper_cou = qs_control%se_control%cutoff_cou 933 qs_control%se_control%taper_exc = qs_control%se_control%cutoff_exc 954 qs_control%se_control%do_ewald = .FALSE. 958 qs_control%se_control%do_ewald = .TRUE. 962 qs_control%se_control%do_ewald = .FALSE. 971 qs_control%se_control%do_ewald = .TRUE. 972 qs_control%se_control%do_ewald_r3 = .TRUE. 990 qs_control%se_control%sd3(1) = scal(1) 991 qs_control%se_control%sd3(2) = scal(2) [all …]
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H A D | se_fock_matrix.F | 103 TYPE(semi_empirical_control_type), POINTER :: se_control local 107 NULLIFY (matrix_h, dft_control, logger, scf_section, store_int_env, se_control) 141 se_control => dft_control%qs_control%se_control 168 IF (debug_energy_coulomb_lr .AND. se_control%do_ewald) THEN 174 IF (se_control%do_ewald) THEN 180 IF (se_control%do_ewald_r3) THEN
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H A D | se_fock_matrix_exchange.F | 113 TYPE(semi_empirical_control_type), POINTER :: se_control local 120 NULLIFY (dft_control, cell, force, particle_set, se_control, se_taper) 125 se_control => dft_control%qs_control%se_control 126 anag = se_control%analytical_gradients 134 integral_screening = se_control%integral_screening 135 IF ((integral_screening == do_se_IS_kdso_d) .AND. (.NOT. se_control%force_kdsod_EX)) THEN 150 delta = se_control%delta
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H A D | qs_environment.F | 1077 se_control => dft_control%qs_control%se_control 1093 IF (se_control%do_ewald .OR. se_control%do_ewald_gks) THEN 1109 IF (se_control%do_ewald) THEN 1128 CALL se_taper_create(se_taper, se_control%integral_screening, se_control%do_ewald, & 1129 se_control%taper_cou, se_control%range_cou, & 1130 se_control%taper_exc, se_control%range_exc, & 1131 se_control%taper_scr, se_control%range_scr, & 1132 se_control%taper_lrc, se_control%range_lrc) 1232 IF (se_control%dispersion) THEN 1236 dispersion_env%s6 = se_control%sd3(1) [all …]
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H A D | se_fock_matrix_coulomb.F | 177 se_control => dft_control%qs_control%se_control 178 anag = se_control%analytical_gradients 184 … shortrange=(se_control%do_ewald .OR. se_control%do_ewald_gks), & 186 IF (se_control%do_ewald_gks) THEN 201 delta = se_control%delta 553 se_control => dft_control%qs_control%se_control 554 anag = se_control%analytical_gradients 591 SELECT CASE (se_control%max_multipole) 905 se_control => dft_control%qs_control%se_control 925 delta = se_control%delta [all …]
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H A D | cp_control_types.F | 315 POINTER :: se_control component 892 NULLIFY (qs_control%se_control) 901 CALL se_control_create(qs_control%se_control) 922 CALL se_control_release(qs_control%se_control) 1149 SUBROUTINE se_control_create(se_control) argument 1150 TYPE(semi_empirical_control_type), POINTER :: se_control local 1155 CPASSERT(.NOT. ASSOCIATED(se_control)) 1156 ALLOCATE (se_control) 1163 SUBROUTINE se_control_release(se_control) argument 1169 IF (ASSOCIATED(se_control)) THEN [all …]
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H A D | semi_empirical_expns3_methods.F | 43 SUBROUTINE semi_empirical_expns3_setup(qs_kind_set, se_control, method_id) argument 45 TYPE(semi_empirical_control_type), POINTER :: se_control local 55 IF (se_control%do_ewald_r3) THEN
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H A D | qmmm_se_forces.F | 128 anag = dft_control%qs_control%se_control%analytical_gradients 129 delta = dft_control%qs_control%se_control%delta 133 … do_ewald_gks=.FALSE., integral_screening=dft_control%qs_control%se_control%integral_screening, &
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H A D | qmmm_se_energy.F | 154 anag = dft_control%qs_control%se_control%analytical_gradients 158 … do_ewald_gks=.FALSE., integral_screening=dft_control%qs_control%se_control%integral_screening, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | semi_empirical_utils.F | 79 se_control%cutoff_cou 84 se_control%cutoff_cou = rc 101 se_control%cutoff_cou = rc 109 se_control%cutoff_cou 111 se_control%taper_cou 113 se_control%range_cou 119 rc = se_control%cutoff_exc 137 se_control%cutoff_exc = rc 145 se_control%cutoff_exc 147 se_control%taper_exc [all …]
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H A D | se_core_core.F | 110 TYPE(semi_empirical_control_type), POINTER :: se_control local 116 NULLIFY (dft_control, cell, force, particle_set, se_control, se_taper, atomic_kind_set, & 126 se_control => dft_control%qs_control%se_control 127 anag = se_control%analytical_gradients 129 CALL setup_se_int_control_type(se_int_control, do_ewald_r3=se_control%do_ewald_r3, & 130 … do_ewald_gks=se_control%do_ewald_gks, integral_screening=se_control%integral_screening, & 131 … shortrange=(se_control%do_ewald .OR. se_control%do_ewald_gks), & 132 max_multipole=se_control%max_multipole, pc_coulomb_int=.FALSE.) 143 IF (se_control%do_ewald_gks) THEN 161 delta = se_control%delta
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H A D | cp_control_utils.F | 899 qs_control%se_control%taper_lrc = qs_control%se_control%cutoff_lrc 911 qs_control%se_control%taper_cou = qs_control%se_control%cutoff_cou 923 qs_control%se_control%taper_exc = qs_control%se_control%cutoff_exc 944 qs_control%se_control%do_ewald = .FALSE. 948 qs_control%se_control%do_ewald = .TRUE. 952 qs_control%se_control%do_ewald = .FALSE. 961 qs_control%se_control%do_ewald = .TRUE. 962 qs_control%se_control%do_ewald_r3 = .TRUE. 980 qs_control%se_control%sd3(1) = scal(1) 981 qs_control%se_control%sd3(2) = scal(2) [all …]
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H A D | se_fock_matrix.F | 103 TYPE(semi_empirical_control_type), POINTER :: se_control local 107 NULLIFY (matrix_h, dft_control, logger, scf_section, store_int_env, se_control) 141 se_control => dft_control%qs_control%se_control 168 IF (debug_energy_coulomb_lr .AND. se_control%do_ewald) THEN 174 IF (se_control%do_ewald) THEN 180 IF (se_control%do_ewald_r3) THEN
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H A D | se_fock_matrix_exchange.F | 113 TYPE(semi_empirical_control_type), POINTER :: se_control local 120 NULLIFY (dft_control, cell, force, particle_set, se_control, se_taper) 125 se_control => dft_control%qs_control%se_control 126 anag = se_control%analytical_gradients 134 integral_screening = se_control%integral_screening 135 IF ((integral_screening == do_se_IS_kdso_d) .AND. (.NOT. se_control%force_kdsod_EX)) THEN 150 delta = se_control%delta
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H A D | qs_environment.F | 996 se_control => dft_control%qs_control%se_control 1012 IF (se_control%do_ewald .OR. se_control%do_ewald_gks) THEN 1028 IF (se_control%do_ewald) THEN 1047 CALL se_taper_create(se_taper, se_control%integral_screening, se_control%do_ewald, & 1048 se_control%taper_cou, se_control%range_cou, & 1049 se_control%taper_exc, se_control%range_exc, & 1050 se_control%taper_scr, se_control%range_scr, & 1051 se_control%taper_lrc, se_control%range_lrc) 1151 IF (se_control%dispersion) THEN 1155 dispersion_env%s6 = se_control%sd3(1) [all …]
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H A D | se_fock_matrix_coulomb.F | 177 se_control => dft_control%qs_control%se_control 178 anag = se_control%analytical_gradients 184 … shortrange=(se_control%do_ewald .OR. se_control%do_ewald_gks), & 186 IF (se_control%do_ewald_gks) THEN 201 delta = se_control%delta 553 se_control => dft_control%qs_control%se_control 554 anag = se_control%analytical_gradients 591 SELECT CASE (se_control%max_multipole) 905 se_control => dft_control%qs_control%se_control 925 delta = se_control%delta [all …]
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H A D | cp_control_types.F | 314 POINTER :: se_control component 864 NULLIFY (qs_control%se_control) 873 CALL se_control_create(qs_control%se_control) 894 CALL se_control_release(qs_control%se_control) 1113 SUBROUTINE se_control_create(se_control) argument 1114 TYPE(semi_empirical_control_type), POINTER :: se_control local 1119 CPASSERT(.NOT. ASSOCIATED(se_control)) 1120 ALLOCATE (se_control) 1127 SUBROUTINE se_control_release(se_control) argument 1133 IF (ASSOCIATED(se_control)) THEN [all …]
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H A D | semi_empirical_expns3_methods.F | 43 SUBROUTINE semi_empirical_expns3_setup(qs_kind_set, se_control, method_id) argument 45 TYPE(semi_empirical_control_type), POINTER :: se_control local 55 IF (se_control%do_ewald_r3) THEN
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H A D | qmmm_se_forces.F | 128 anag = dft_control%qs_control%se_control%analytical_gradients 129 delta = dft_control%qs_control%se_control%delta 133 … do_ewald_gks=.FALSE., integral_screening=dft_control%qs_control%se_control%integral_screening, &
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H A D | qmmm_se_energy.F | 154 anag = dft_control%qs_control%se_control%analytical_gradients 158 … do_ewald_gks=.FALSE., integral_screening=dft_control%qs_control%se_control%integral_screening, &
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/dports/multimedia/libv4l/linux-5.13-rc2/drivers/gpu/drm/arm/ |
H A D | malidp_drv.c | 126 u32 se_control = hwdev->hw->map.se_base + in malidp_atomic_commit_se_config() local 129 u32 layer_control = se_control + MALIDP_SE_LAYER_CONTROL; in malidp_atomic_commit_se_config() 130 u32 scr = se_control + MALIDP_SE_SCALING_CONTROL; in malidp_atomic_commit_se_config() 135 val = malidp_hw_read(hwdev, se_control); in malidp_atomic_commit_se_config() 137 malidp_hw_write(hwdev, val, se_control); in malidp_atomic_commit_se_config() 142 val = malidp_hw_read(hwdev, se_control); in malidp_atomic_commit_se_config() 149 malidp_hw_write(hwdev, val, se_control); in malidp_atomic_commit_se_config()
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/dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/gpu/drm/arm/ |
H A D | malidp_drv.c | 126 u32 se_control = hwdev->hw->map.se_base + in malidp_atomic_commit_se_config() local 129 u32 layer_control = se_control + MALIDP_SE_LAYER_CONTROL; in malidp_atomic_commit_se_config() 130 u32 scr = se_control + MALIDP_SE_SCALING_CONTROL; in malidp_atomic_commit_se_config() 135 val = malidp_hw_read(hwdev, se_control); in malidp_atomic_commit_se_config() 137 malidp_hw_write(hwdev, val, se_control); in malidp_atomic_commit_se_config() 142 val = malidp_hw_read(hwdev, se_control); in malidp_atomic_commit_se_config() 149 malidp_hw_write(hwdev, val, se_control); in malidp_atomic_commit_se_config()
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/dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/gpu/drm/arm/ |
H A D | malidp_drv.c | 126 u32 se_control = hwdev->hw->map.se_base + in malidp_atomic_commit_se_config() local 129 u32 layer_control = se_control + MALIDP_SE_LAYER_CONTROL; in malidp_atomic_commit_se_config() 130 u32 scr = se_control + MALIDP_SE_SCALING_CONTROL; in malidp_atomic_commit_se_config() 135 val = malidp_hw_read(hwdev, se_control); in malidp_atomic_commit_se_config() 137 malidp_hw_write(hwdev, val, se_control); in malidp_atomic_commit_se_config() 142 val = malidp_hw_read(hwdev, se_control); in malidp_atomic_commit_se_config() 149 malidp_hw_write(hwdev, val, se_control); in malidp_atomic_commit_se_config()
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