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Searched refs:forces_glob (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dewalds_multipole.F169 check_forces = do_forces .EQV. (PRESENT(forces_local) .AND. PRESENT(forces_glob))
258 forces_glob, pv_glob, efield0_sr, efield1_sr, efield2_sr)
266 charges, dipoles, quadrupoles, forces_glob, pv_glob, &
1930 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: efield1, efield2, forces_glob, & local
1946 ALLOCATE (forces_glob(3, nparticles))
1951 forces_glob = 0.0_dp
1975 forces_glob = 0.0_dp
2009 forces_glob = 0.0_dp
2050 forces_glob = 0.0_dp
2129 ALLOCATE (forces_glob(3, nparticles))
[all …]
H A Dfist_pol_scf.F289 forces_local=fg_coulomb, forces_glob=f_nonbond, &
582 forces_local=fg_coulomb, forces_glob=f_nonbond, &
613 forces_local=fg_coulomb, forces_glob=f_nonbond, &
674 forces_glob, pv_local, pv_glob) argument
695 OPTIONAL :: forces_local, forces_glob, pv_local, & local
714 … forces_local=forces_local, forces_glob=forces_glob, pv_local=pv_local, &
H A Dfist_force.F394 … forces_glob=f_nonbond, pv_local=pv_g, pv_glob=pv_nonbond, iw=iw2, &
H A Dse_fock_matrix_coulomb.F697 forces_local=forces_g, forces_glob=forces_r, pv_glob=pv_glob, pv_local=pv_local, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dewalds_multipole.F172 check_forces = do_forces .EQV. (PRESENT(forces_local) .AND. PRESENT(forces_glob))
261 forces_glob, pv_glob, efield0_sr, efield1_sr, efield2_sr)
269 charges, dipoles, quadrupoles, forces_glob, pv_glob, &
1934 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: efield1, efield2, forces_glob, & local
1950 ALLOCATE (forces_glob(3, nparticles))
1955 forces_glob = 0.0_dp
1979 forces_glob = 0.0_dp
2013 forces_glob = 0.0_dp
2054 forces_glob = 0.0_dp
2133 ALLOCATE (forces_glob(3, nparticles))
[all …]
H A Dfist_pol_scf.F289 forces_local=fg_coulomb, forces_glob=f_nonbond, &
582 forces_local=fg_coulomb, forces_glob=f_nonbond, &
613 forces_local=fg_coulomb, forces_glob=f_nonbond, &
674 forces_glob, pv_local, pv_glob) argument
695 OPTIONAL :: forces_local, forces_glob, pv_local, & local
714 … forces_local=forces_local, forces_glob=forces_glob, pv_local=pv_local, &
H A Dfist_force.F394 … forces_glob=f_nonbond, pv_local=pv_g, pv_glob=pv_nonbond, iw=iw2, &
H A Dse_fock_matrix_coulomb.F697 forces_local=forces_g, forces_glob=forces_r, pv_glob=pv_glob, pv_local=pv_local, &