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Searched refs:vdw_pairpot_dftd3 (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_dispersion_utils.F22 vdw_pairpot_dftd3,&
108 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
121 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
129 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
136 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
239 ELSE IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
H A Dqs_dispersion_pairpot.F38 vdw_pairpot_dftd3,&
149 CASE (vdw_pairpot_dftd3, vdw_pairpot_dftd3bj)
276 CASE (vdw_pairpot_dftd3, vdw_pairpot_dftd3bj)
1284 ELSE IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
1306 ELSE IF ((dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
1339 ELSE IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
1371 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
1385 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
1939 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
1996 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
[all …]
H A Dinput_cp2k_xc.F23 vdw_nl_lmkll, vdw_nl_rvv10, vdw_pairpot_dftd2, vdw_pairpot_dftd3, vdw_pairpot_dftd3bj, &
929 … enum_i_vals=(/vdw_pairpot_dftd2, vdw_pairpot_dftd3, vdw_pairpot_dftd3bj/), &
933 default_i_val=vdw_pairpot_dftd3)
H A Dqs_environment.F100 vdw_pairpot_dftd3, vdw_pairpot_dftd3bj, wfi_aspc_nr, wfi_linear_ps_method_nr, &
1175 dispersion_env%pp_type = vdw_pairpot_dftd3
1234 dispersion_env%pp_type = vdw_pairpot_dftd3
H A Dinput_constants.F564 vdw_pairpot_dftd3 = 2, & variable
H A Dqs_neighbor_lists.F52 vdw_pairpot_dftd3,&
817 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_dispersion_utils.F22 vdw_pairpot_dftd3,&
108 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
121 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
129 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
136 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
239 ELSE IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
H A Dqs_dispersion_pairpot.F37 vdw_pairpot_dftd3,&
148 CASE (vdw_pairpot_dftd3, vdw_pairpot_dftd3bj)
274 CASE (vdw_pairpot_dftd3, vdw_pairpot_dftd3bj)
950 ELSE IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
972 ELSE IF ((dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
1005 ELSE IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
1037 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
1051 IF (dispersion_env%pp_type == vdw_pairpot_dftd3) THEN
1605 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
1662 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
[all …]
H A Dinput_cp2k_xc.F23 vdw_nl_lmkll, vdw_nl_rvv10, vdw_pairpot_dftd2, vdw_pairpot_dftd3, vdw_pairpot_dftd3bj, &
929 … enum_i_vals=(/vdw_pairpot_dftd2, vdw_pairpot_dftd3, vdw_pairpot_dftd3bj/), &
933 default_i_val=vdw_pairpot_dftd3)
H A Dqs_environment.F97 vdw_pairpot_dftd3, vdw_pairpot_dftd3bj, wfi_aspc_nr, wfi_linear_ps_method_nr, &
1094 dispersion_env%pp_type = vdw_pairpot_dftd3
1153 dispersion_env%pp_type = vdw_pairpot_dftd3
H A Dinput_constants.F561 vdw_pairpot_dftd3 = 2, & variable
H A Dqs_neighbor_lists.F52 vdw_pairpot_dftd3,&
818 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &