Searched refs:vdw_pairpot_dftd3 (Results 1 – 12 of 12) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_dispersion_utils.F | 22 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
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H A D | qs_dispersion_pairpot.F | 38 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 …]
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H A D | input_cp2k_xc.F | 23 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)
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H A D | qs_environment.F | 100 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
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H A D | input_constants.F | 564 vdw_pairpot_dftd3 = 2, & variable
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H A D | qs_neighbor_lists.F | 52 vdw_pairpot_dftd3,& 817 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_dispersion_utils.F | 22 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
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H A D | qs_dispersion_pairpot.F | 37 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 …]
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H A D | input_cp2k_xc.F | 23 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)
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H A D | qs_environment.F | 97 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
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H A D | input_constants.F | 561 vdw_pairpot_dftd3 = 2, & variable
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H A D | qs_neighbor_lists.F | 52 vdw_pairpot_dftd3,& 818 IF (dispersion_env%pp_type == vdw_pairpot_dftd3 .OR. &
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