/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | outer_scf_control_types.F | 14 USE input_constants, ONLY: outer_scf_optimizer_broyden,& 133 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, &
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H A D | qs_cdft_opt_types.F | 17 outer_scf_optimizer_broyden, outer_scf_optimizer_newton, outer_scf_optimizer_newton_ls 246 CASE (outer_scf_optimizer_broyden) 280 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, outer_scf_optimizer_newton_ls)
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H A D | qs_cdft_scf_utils.F | 25 jacobian_fd2_backward, outer_scf_optimizer_broyden, outer_scf_optimizer_newton, & 430 CASE (outer_scf_optimizer_broyden)
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H A D | scf_control_types.F | 25 outer_scf_none, outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, & 724 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, &
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H A D | qs_outer_scf.F | 22 outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, outer_scf_optimizer_diis, & 308 CASE (outer_scf_optimizer_broyden)
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H A D | qs_scf_output.F | 22 outer_scf_hirshfeld_constraint, outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, & 739 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, &
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H A D | input_constants.F | 673 outer_scf_optimizer_broyden = 1005, & variable
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H A D | qs_scf.F | 83 outer_scf_becke_constraint, outer_scf_hirshfeld_constraint, outer_scf_optimizer_broyden, & 1427 CASE (outer_scf_optimizer_broyden)
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H A D | input_cp2k_dft.F | 79 outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, outer_scf_optimizer_diis, & 5533 outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | outer_scf_control_types.F | 14 USE input_constants, ONLY: outer_scf_optimizer_broyden,& 133 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, &
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H A D | qs_cdft_opt_types.F | 17 outer_scf_optimizer_broyden, outer_scf_optimizer_newton, outer_scf_optimizer_newton_ls 246 CASE (outer_scf_optimizer_broyden) 280 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, outer_scf_optimizer_newton_ls)
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H A D | qs_cdft_scf_utils.F | 25 jacobian_fd2_backward, outer_scf_optimizer_broyden, outer_scf_optimizer_newton, & 430 CASE (outer_scf_optimizer_broyden)
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H A D | scf_control_types.F | 25 outer_scf_none, outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, & 724 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, &
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H A D | qs_scf_output.F | 22 outer_scf_hirshfeld_constraint, outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, & 728 CASE (outer_scf_optimizer_broyden, outer_scf_optimizer_newton, &
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H A D | qs_outer_scf.F | 22 outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, outer_scf_optimizer_diis, & 308 CASE (outer_scf_optimizer_broyden)
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H A D | input_constants.F | 670 outer_scf_optimizer_broyden = 1005, & variable
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H A D | qs_scf.F | 83 outer_scf_becke_constraint, outer_scf_hirshfeld_constraint, outer_scf_optimizer_broyden, & 1393 CASE (outer_scf_optimizer_broyden)
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H A D | input_cp2k_dft.F | 78 outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, outer_scf_optimizer_diis, & 5420 outer_scf_optimizer_bisect, outer_scf_optimizer_broyden, &
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