Searched refs:do_method_gapw (Results 1 – 12 of 12) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_environment.F | 95 dispersion_d3, do_et_ddapc, do_method_am1, do_method_dftb, do_method_gapw, &
924 IF (dft_control%qs_control%method_id == do_method_gapw .OR. &
1051 IF (dft_control%qs_control%method_id == do_method_gapw .OR. &
1141 dft_control%qs_control%method_id == do_method_gapw .OR. &
1254 dft_control%qs_control%method_id == do_method_gapw .OR. &
1528 dft_control%qs_control%method_id == do_method_gapw .OR. &
1583 IF (dft_control%qs_control%method_id == do_method_gapw) THEN
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| H A D | qs_kpp1_env_methods.F | 29 USE input_constants, ONLY: do_method_gapw,&
196 gapw = (section_get_ival(input, "DFT%QS%METHOD") == do_method_gapw)
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| H A D | input_constants.F | 240 do_method_gapw = 1, & variable
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| H A D | xc_pot_saop.F | 30 USE input_constants, ONLY: do_method_gapw,&
182 gapw = (dft_method_id == do_method_gapw)
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| H A D | cp_control_utils.F | 32 do_ddapc_constraint, do_ddapc_restraint, do_method_am1, do_method_dftb, do_method_gapw, &
783 CASE (do_method_gapw)
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| H A D | input_cp2k_dft.F | 54 do_method_dftb, do_method_gapw, do_method_gapw_xc, do_method_gpw, do_method_lrigpw, &
3411 …enum_i_vals=(/do_method_gapw, do_method_gapw_xc, do_method_gpw, do_method_lrigpw, do_method_rigpw,…
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_environment.F | 92 dispersion_d3, do_et_ddapc, do_method_am1, do_method_dftb, do_method_gapw, &
972 IF (dft_control%qs_control%method_id == do_method_gapw .OR. &
1060 dft_control%qs_control%method_id == do_method_gapw .OR. &
1173 dft_control%qs_control%method_id == do_method_gapw .OR. &
1426 dft_control%qs_control%method_id == do_method_gapw .OR. &
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| H A D | qs_kpp1_env_methods.F | 28 USE input_constants, ONLY: do_method_gapw,&
195 gapw = (section_get_ival(input, "DFT%QS%METHOD") == do_method_gapw)
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| H A D | input_constants.F | 240 do_method_gapw = 1, & variable
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| H A D | xc_pot_saop.F | 29 USE input_constants, ONLY: do_method_gapw,&
179 gapw = (dft_method_id == do_method_gapw)
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| H A D | cp_control_utils.F | 32 do_ddapc_constraint, do_ddapc_restraint, do_method_am1, do_method_dftb, do_method_gapw, &
773 CASE (do_method_gapw)
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| H A D | input_cp2k_dft.F | 52 do_method_dftb, do_method_gapw, do_method_gapw_xc, do_method_gpw, do_method_lrigpw, &
3211 …enum_i_vals=(/do_method_gapw, do_method_gapw_xc, do_method_gpw, do_method_lrigpw, do_method_rigpw,…
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