Searched refs:t_ener (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_fit.F | 506 rmax, semicore_level, step_size_scaling, t_ener, t_psir0, t_semi, t_valence, t_virt, & local
537 CALL section_vals_val_get(powell_section, "TARGET_DELTA_ENERGY", r_val=t_ener)
793 … CALL pseudo_fit(atom_info, wfn_guess, ppot, ostate%f, wtot, pval, dener, w_ener, t_ener, .TRUE.)
907 j1, i1, j2, i2, dener(2, j1, j2, i1, i2), de, t_ener
930 … CALL pseudo_fit(atom_info, wfn_guess, ppot, ostate%f, wtot, pval, dener, w_ener, t_ener, .FALSE.)
975 … CALL pseudo_fit(atom_info, wfn_guess, ppot, ostate%f, wtot, pval, dener, w_ener, t_ener, .FALSE.)
1131 …(iunit, '(i6,i6,i10,i6,5X,F16.6,F19.6,F12.6)') j1, i1, j2, i2, dener(2, j1, j2, i1, i2), de, t_ener
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_fit.F | 506 rmax, semicore_level, step_size_scaling, t_ener, t_psir0, t_semi, t_valence, t_virt, & local
537 CALL section_vals_val_get(powell_section, "TARGET_DELTA_ENERGY", r_val=t_ener)
793 … CALL pseudo_fit(atom_info, wfn_guess, ppot, ostate%f, wtot, pval, dener, w_ener, t_ener, .TRUE.)
907 j1, i1, j2, i2, dener(2, j1, j2, i1, i2), de, t_ener
930 … CALL pseudo_fit(atom_info, wfn_guess, ppot, ostate%f, wtot, pval, dener, w_ener, t_ener, .FALSE.)
975 … CALL pseudo_fit(atom_info, wfn_guess, ppot, ostate%f, wtot, pval, dener, w_ener, t_ener, .FALSE.)
1131 …(iunit, '(i6,i6,i10,i6,5X,F16.6,F19.6,F12.6)') j1, i1, j2, i2, dener(2, j1, j2, i1, i2), de, t_ener
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