Searched refs:Vh1_s (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hartree_local_methods.F | 331 NULLIFY (Vh1_h, Vh1_s)
333 ALLOCATE (Vh1_s(nr, max_iso_not0))
417 DEALLOCATE (Vh1_h, Vh1_s)
461 REAL(dp), DIMENSION(:, :), POINTER :: Vh1_h, Vh1_s local
477 Vh1_s = 0.0_dp
482 Vh1_s(:, iso) = vrrad_0(:, iso)
488 Vh1_s(:, iso) = Vh1_s(:, iso) + vr_s(ispin)%r_coef(:, iso)
495 Vh1_s(ir, 1) = Vh1_s(ir, 1) + bfactor*grid_atom%rad2(ir)*grid_atom%wr(ir)
533 REAL(dp), DIMENSION(:, :), POINTER :: Vh1_h, Vh1_s local
621 REAL(dp), DIMENSION(:, :), POINTER :: Vh1_h, Vh1_s local
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| H A D | hartree_local_types.F | 24 TYPE(rho_atom_coeff), POINTER :: Vh1_h, Vh1_s component
72 ALLOCATE (ecoul_1c(iat)%Vh1_s)
73 NULLIFY (ecoul_1c(iat)%Vh1_s%r_coef)
99 IF (ASSOCIATED(ecoul_1c(iat)%Vh1_s%r_coef)) THEN
100 DEALLOCATE (ecoul_1c(iat)%Vh1_s%r_coef)
102 DEALLOCATE (ecoul_1c(iat)%Vh1_s)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hartree_local_methods.F | 343 NULLIFY (Vh1_h, Vh1_s)
345 ALLOCATE (Vh1_s(nr, max_iso_not0))
429 DEALLOCATE (Vh1_h, Vh1_s)
473 REAL(dp), DIMENSION(:, :), POINTER :: Vh1_h, Vh1_s local
489 Vh1_s = 0.0_dp
494 Vh1_s(:, iso) = vrrad_0(:, iso)
500 Vh1_s(:, iso) = Vh1_s(:, iso) + vr_s(ispin)%r_coef(:, iso)
507 Vh1_s(ir, 1) = Vh1_s(ir, 1) + bfactor*grid_atom%rad2(ir)*grid_atom%wr(ir)
545 REAL(dp), DIMENSION(:, :), POINTER :: Vh1_h, Vh1_s local
633 REAL(dp), DIMENSION(:, :), POINTER :: Vh1_h, Vh1_s local
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| H A D | hartree_local_types.F | 24 TYPE(rho_atom_coeff), POINTER :: Vh1_h, Vh1_s component
72 ALLOCATE (ecoul_1c(iat)%Vh1_s)
73 NULLIFY (ecoul_1c(iat)%Vh1_s%r_coef)
99 IF (ASSOCIATED(ecoul_1c(iat)%Vh1_s%r_coef)) THEN
100 DEALLOCATE (ecoul_1c(iat)%Vh1_s%r_coef)
102 DEALLOCATE (ecoul_1c(iat)%Vh1_s)
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