| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_derivative_set_types.F | 52 TYPE(pw_pool_type), POINTER :: pw_pool component
115 SUBROUTINE xc_dset_create(derivative_set, pw_pool, local_bounds) argument
118 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
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| H A D | xc.F | 114 pw_pool, compute_virial, virial_xc, exc_r) argument
118 TYPE(pw_pool_type), POINTER :: pw_pool local
177 exc, xc_section, pw_pool) argument
181 TYPE(pw_pool_type), POINTER :: pw_pool local
517 xc_section, pw_pool) argument
521 TYPE(pw_pool_type), POINTER :: pw_pool local
816 TYPE(pw_pool_type), POINTER :: pw_pool local
1071 TYPE(pw_pool_type), POINTER :: pw_pool local
1837 TYPE(pw_pool_type), POINTER :: pw_pool local
1925 TYPE(pw_pool_type), POINTER :: pw_pool local
[all …]
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| H A D | xc_rho_set_types.F | 180 SUBROUTINE xc_rho_set_release(rho_set, pw_pool) argument
182 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
449 SUBROUTINE xc_rho_set_clean(rho_set, pw_pool) argument
451 TYPE(pw_pool_type), POINTER :: pw_pool local
580 xc_deriv_method_id, xc_rho_smooth_id, pw_pool) argument
585 TYPE(pw_pool_type), POINTER :: pw_pool local
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| H A D | xc_derivative_types.F | 110 SUBROUTINE xc_derivative_release(derivative, pw_pool) argument
113 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_derivative_set_types.F | 52 TYPE(pw_pool_type), POINTER :: pw_pool component
115 SUBROUTINE xc_dset_create(derivative_set, pw_pool, local_bounds) argument
118 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
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| H A D | xc.F | 114 pw_pool, compute_virial, virial_xc, exc_r) argument
118 TYPE(pw_pool_type), POINTER :: pw_pool local
177 exc, xc_section, pw_pool) argument
181 TYPE(pw_pool_type), POINTER :: pw_pool local
517 xc_section, pw_pool) argument
521 TYPE(pw_pool_type), POINTER :: pw_pool local
816 TYPE(pw_pool_type), POINTER :: pw_pool local
1071 TYPE(pw_pool_type), POINTER :: pw_pool local
1837 TYPE(pw_pool_type), POINTER :: pw_pool local
1925 TYPE(pw_pool_type), POINTER :: pw_pool local
[all …]
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| H A D | xc_rho_set_types.F | 180 SUBROUTINE xc_rho_set_release(rho_set, pw_pool) argument
182 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
449 SUBROUTINE xc_rho_set_clean(rho_set, pw_pool) argument
451 TYPE(pw_pool_type), POINTER :: pw_pool local
580 xc_deriv_method_id, xc_rho_smooth_id, pw_pool) argument
585 TYPE(pw_pool_type), POINTER :: pw_pool local
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| H A D | xc_derivative_types.F | 110 SUBROUTINE xc_derivative_release(derivative, pw_pool) argument
113 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_nmr_epr_common_utils.F | 61 SUBROUTINE mult_G_ov_G2_grid(cell, pw_pool, rho_gspace, funcG_times_rho, idir, my_chi) argument
64 TYPE(pw_pool_type), POINTER :: pw_pool local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_nmr_epr_common_utils.F | 61 SUBROUTINE mult_G_ov_G2_grid(cell, pw_pool, rho_gspace, funcG_times_rho, idir, my_chi) argument
64 TYPE(pw_pool_type), POINTER :: pw_pool local
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| H A D | ewald_spline_util.F | 74 SUBROUTINE Setup_Ewald_Spline(pw_grid, pw_pool, coeff, LG, gx, gy, gz, hmat, npts, & argument
77 TYPE(pw_pool_type), POINTER :: pw_pool local
144 SUBROUTINE eval_pw_TabLR(grid, pw_pool, TabLR, Lg, gx, gy, gz, hmat_mm, & argument
147 TYPE(pw_pool_type), POINTER :: pw_pool local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw/ |
| H A D | dielectric_methods.F | 68 SUBROUTINE dielectric_create(dielectric, pw_pool, dielectric_params) argument
70 TYPE(pw_pool_type), POINTER :: pw_pool local
121 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
557 SUBROUTINE dielectric_constant_aa_cuboidal(eps, dielec_const, pw_pool, zeta, & argument
564 TYPE(pw_pool_type), POINTER :: pw_pool local
653 SUBROUTINE dielectric_constant_xaa_annular(eps, dielec_const, pw_pool, zeta, & argument
660 TYPE(pw_pool_type), POINTER :: pw_pool local
743 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
817 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
860 SUBROUTINE derive_fft(f, df, pw_pool) argument
[all …]
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| H A D | ps_implicit_methods.F | 94 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
207 TYPE(pw_pool_type), POINTER :: pw_pool local
521 TYPE(pw_pool_type), POINTER :: pw_pool local
1048 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1422 SUBROUTINE apply_P_operator(pw_pool, dielectric, v, Pxv) argument
1424 TYPE(pw_pool_type), POINTER :: pw_pool local
1468 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1518 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1566 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1623 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
[all …]
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| H A D | dirichlet_bc_types.F | 154 SUBROUTINE dbc_release(contacts, do_dbc_cube, pw_pool) argument
159 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
194 SUBROUTINE dbc_tile_release(dbc, pw_pool) argument
197 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
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| H A D | ps_implicit_types.F | 83 SUBROUTINE ps_implicit_release(ps_implicit_env, ps_implicit_params, pw_pool) argument
86 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
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| H A D | dielectric_types.F | 82 SUBROUTINE dielectric_release(dielectric, pw_pool) argument
84 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
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| H A D | pw_pool_types.F | 520 SUBROUTINE pw_pool_create_cr3d(pw_pool, cr3d) argument
521 TYPE(pw_pool_type), POINTER :: pw_pool local
579 SUBROUTINE pw_pool_give_back_cr3d(pw_pool, cr3d, accept_non_compatible) argument
580 TYPE(pw_pool_type), POINTER :: pw_pool local
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| H A D | pw_poisson_types.F | 187 SUBROUTINE pw_green_create(green, poisson_params, cell_hmat, pw_pool, & argument
192 TYPE(pw_pool_type), POINTER :: pw_pool local
466 SUBROUTINE pw_green_release(gftype, pw_pool) argument
468 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/pw/ |
| H A D | dielectric_methods.F | 68 SUBROUTINE dielectric_create(dielectric, pw_pool, dielectric_params) argument
70 TYPE(pw_pool_type), POINTER :: pw_pool local
121 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
557 SUBROUTINE dielectric_constant_aa_cuboidal(eps, dielec_const, pw_pool, zeta, & argument
564 TYPE(pw_pool_type), POINTER :: pw_pool local
653 SUBROUTINE dielectric_constant_xaa_annular(eps, dielec_const, pw_pool, zeta, & argument
660 TYPE(pw_pool_type), POINTER :: pw_pool local
743 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
817 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
860 SUBROUTINE derive_fft(f, df, pw_pool) argument
[all …]
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| H A D | ps_implicit_methods.F | 94 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
207 TYPE(pw_pool_type), POINTER :: pw_pool local
521 TYPE(pw_pool_type), POINTER :: pw_pool local
1048 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1422 SUBROUTINE apply_P_operator(pw_pool, dielectric, v, Pxv) argument
1424 TYPE(pw_pool_type), POINTER :: pw_pool local
1468 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1518 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1566 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
1623 TYPE(pw_pool_type), INTENT(IN), POINTER :: pw_pool local
[all …]
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| H A D | dirichlet_bc_types.F | 154 SUBROUTINE dbc_release(contacts, do_dbc_cube, pw_pool) argument
159 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
194 SUBROUTINE dbc_tile_release(dbc, pw_pool) argument
197 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
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| H A D | ps_implicit_types.F | 83 SUBROUTINE ps_implicit_release(ps_implicit_env, ps_implicit_params, pw_pool) argument
86 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
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| H A D | dielectric_types.F | 82 SUBROUTINE dielectric_release(dielectric, pw_pool) argument
84 TYPE(pw_pool_type), INTENT(IN), OPTIONAL, POINTER :: pw_pool local
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| H A D | pw_pool_types.F | 520 SUBROUTINE pw_pool_create_cr3d(pw_pool, cr3d) argument
521 TYPE(pw_pool_type), POINTER :: pw_pool local
579 SUBROUTINE pw_pool_give_back_cr3d(pw_pool, cr3d, accept_non_compatible) argument
580 TYPE(pw_pool_type), POINTER :: pw_pool local
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| H A D | pw_poisson_types.F | 187 SUBROUTINE pw_green_create(green, poisson_params, cell_hmat, pw_pool, & argument
192 TYPE(pw_pool_type), POINTER :: pw_pool local
466 SUBROUTINE pw_green_release(gftype, pw_pool) argument
468 TYPE(pw_pool_type), OPTIONAL, POINTER :: pw_pool local
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