Searched refs:fodeb (Results 1 – 2 of 2) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | response_solver.F | 387 fodeb(1:3) = force(1)%kinetic(1:3, 1) - fodeb(1:3) 414 fodeb(1:3) = force(1)%gth_ppl(1:3, 1) - fodeb(1:3) 428 fodeb(1:3) = force(1)%gth_ppnl(1:3, 1) - fodeb(1:3) 444 fodeb(1:3) = force(1)%kinetic(1:3, 1) - fodeb(1:3) 479 fodeb(1:3) = force(1)%rho_elec(1:3, 1) - fodeb(1:3) 499 fodeb(1:3) = force(1)%rho_elec(1:3, 1) - fodeb(1:3) 537 fodeb(1:3) = force(1)%rho_core(1:3, 1) - fodeb(1:3) 592 fodeb(1:3) = force(1)%rho_elec(1:3, 1) - fodeb(1:3) 611 fodeb(1:3) = force(1)%rho_elec(1:3, 1) - fodeb(1:3) 846 fodeb(1:3) = force(1)%fock_4c(1:3, 1) - fodeb(1:3) [all …]
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H A D | energy_corrections.F | 700 fodeb(1:3) = force(1)%overlap(1:3, 1) - fodeb(1:3) 701 CALL mp_sum(fodeb, para_env%group) 711 fodeb(1:3) = force(1)%kinetic(1:3, 1) - fodeb(1:3) 732 fodeb(1:3) = force(1)%gth_ppl(1:3, 1) - fodeb(1:3) 747 fodeb(1:3) = force(1)%gth_ppnl(1:3, 1) - fodeb(1:3) 758 fodeb(1:3) = force(1)%efield(1:3, 1) - fodeb(1:3) 901 fodeb(1:3) = force(1)%rho_core(1:3, 1) - fodeb(1:3) 962 fodeb(1:3) = force(1)%rho_elec(1:3, 1) - fodeb(1:3) 1065 fodeb(1:3) = force(1)%rho_elec(1:3, 1) - fodeb(1:3) 1086 fodeb(1:3) = force(1)%core_overlap(1:3, 1) - fodeb(1:3) [all …]
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