Searched refs:issc_iso_pso (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_issc_utils.F | 667 issc_iso_pso, issc_iso_sd, & local
742 issc_iso_pso = (eig(1) + eig(2) + eig(3))/3.0_dp
751 issc_iso_tot = issc_iso_fc + issc_iso_sd + issc_iso_dso + issc_iso_pso
761 …(do_pso) WRITE (unit_atoms, '(T1,A,f12.4,A)') ' Isotropic PSO contribution = ', issc_iso_pso, ' Hz'
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_issc_utils.F | 667 issc_iso_pso, issc_iso_sd, & local
742 issc_iso_pso = (eig(1) + eig(2) + eig(3))/3.0_dp
751 issc_iso_tot = issc_iso_fc + issc_iso_sd + issc_iso_dso + issc_iso_pso
761 …(do_pso) WRITE (unit_atoms, '(T1,A,f12.4,A)') ' Isotropic PSO contribution = ', issc_iso_pso, ' Hz'
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