| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_basis.F | 58 INTEGER :: do_eric, do_erie, handle, i, im, in, & local
117 CALL section_vals_val_get(atom_section, "COULOMB_INTEGRALS", i_val=do_eric)
118 IF (do_eric == do_analytic) eri_c = .TRUE.
211 CALL set_atom(atom_info(in, im)%atom, coulomb_integral_type=do_eric, &
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| H A D | atom_pseudo.F | 71 INTEGER :: ads, do_eric, do_erie, handle, i, im, & local
151 CALL section_vals_val_get(atom_section, "COULOMB_INTEGRALS", i_val=do_eric)
152 IF (do_eric == do_analytic) eri_c = .TRUE.
322 CALL set_atom(atom_info(in, im)%atom, coulomb_integral_type=do_eric, &
324 CALL set_atom(atom_refs(in, im)%atom, coulomb_integral_type=do_eric, &
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| H A D | atom_energy.F | 87 INTEGER :: do_eric, do_erie, handle, i, im, in, iw, k, maxl, mb, method, mo, n_meth, n_rep, & local
153 CALL section_vals_val_get(atom_section, "COULOMB_INTEGRALS", i_val=do_eric)
154 IF (do_eric == do_analytic) eri_c = .TRUE.
316 CALL set_atom(atom_info(in, im)%atom, coulomb_integral_type=do_eric, &
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| H A D | atom_grb.F | 850 INTEGER :: do_eric, do_erie, reltyp, zval local
863 do_eric = atom%coulomb_integral_type
865 IF (do_eric == do_analytic) eri_c = .TRUE.
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| H A D | atom_fit.F | 1392 … INTEGER :: do_eric, do_erie, i, im, in, l, nm, nn, & local
1417 do_eric = atom_info(in, im)%atom%coulomb_integral_type
1419 IF (do_eric == do_analytic) eri_c = .TRUE.
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_basis.F | 58 INTEGER :: do_eric, do_erie, handle, i, im, in, & local
117 CALL section_vals_val_get(atom_section, "COULOMB_INTEGRALS", i_val=do_eric)
118 IF (do_eric == do_analytic) eri_c = .TRUE.
211 CALL set_atom(atom_info(in, im)%atom, coulomb_integral_type=do_eric, &
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| H A D | atom_pseudo.F | 71 INTEGER :: ads, do_eric, do_erie, handle, i, im, & local
151 CALL section_vals_val_get(atom_section, "COULOMB_INTEGRALS", i_val=do_eric)
152 IF (do_eric == do_analytic) eri_c = .TRUE.
322 CALL set_atom(atom_info(in, im)%atom, coulomb_integral_type=do_eric, &
324 CALL set_atom(atom_refs(in, im)%atom, coulomb_integral_type=do_eric, &
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| H A D | atom_energy.F | 87 INTEGER :: do_eric, do_erie, handle, i, im, in, iw, k, maxl, mb, method, mo, n_meth, n_rep, & local
153 CALL section_vals_val_get(atom_section, "COULOMB_INTEGRALS", i_val=do_eric)
154 IF (do_eric == do_analytic) eri_c = .TRUE.
316 CALL set_atom(atom_info(in, im)%atom, coulomb_integral_type=do_eric, &
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| H A D | atom_grb.F | 850 INTEGER :: do_eric, do_erie, reltyp, zval local
863 do_eric = atom%coulomb_integral_type
865 IF (do_eric == do_analytic) eri_c = .TRUE.
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| H A D | atom_fit.F | 1392 … INTEGER :: do_eric, do_erie, i, im, in, l, nm, nn, & local
1417 do_eric = atom_info(in, im)%atom%coulomb_integral_type
1419 IF (do_eric == do_analytic) eri_c = .TRUE.
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