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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dsemi_empirical_utils.F79 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 …]
H A Dse_core_core.F110 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
H A Dcp_control_utils.F909 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 …]
H A Dse_fock_matrix.F103 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
H A Dse_fock_matrix_exchange.F113 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
H A Dqs_environment.F1077 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 …]
H A Dse_fock_matrix_coulomb.F177 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 …]
H A Dcp_control_types.F315 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 …]
H A Dsemi_empirical_expns3_methods.F43 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
H A Dqmmm_se_forces.F128 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, &
H A Dqmmm_se_energy.F154 anag = dft_control%qs_control%se_control%analytical_gradients
158 … do_ewald_gks=.FALSE., integral_screening=dft_control%qs_control%se_control%integral_screening, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dsemi_empirical_utils.F79 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 …]
H A Dse_core_core.F110 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
H A Dcp_control_utils.F899 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 …]
H A Dse_fock_matrix.F103 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
H A Dse_fock_matrix_exchange.F113 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
H A Dqs_environment.F996 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 …]
H A Dse_fock_matrix_coulomb.F177 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 …]
H A Dcp_control_types.F314 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 …]
H A Dsemi_empirical_expns3_methods.F43 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
H A Dqmmm_se_forces.F128 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, &
H A Dqmmm_se_energy.F154 anag = dft_control%qs_control%se_control%analytical_gradients
158 … do_ewald_gks=.FALSE., integral_screening=dft_control%qs_control%se_control%integral_screening, &
/dports/multimedia/libv4l/linux-5.13-rc2/drivers/gpu/drm/arm/
H A Dmalidp_drv.c126 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()
/dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/gpu/drm/arm/
H A Dmalidp_drv.c126 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()
/dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/gpu/drm/arm/
H A Dmalidp_drv.c126 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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