Searched defs:pp_calc (Results 1 – 10 of 10) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_basis.F | 65 pp_calc local
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| H A D | atom_pseudo.F | 77 LOGICAL :: do_gh, eri_c, eri_e, pp_calc local
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| H A D | atom_admm_methods.F | 69 LOGICAL :: pp_calc, rhf local
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| H A D | atom_types.F | 291 LOGICAL :: pp_calc component
1021 …SUBROUTINE set_atom(atom, basis, state, integrals, orbitals, potential, zcore, pp_calc, do_zmp, do… argument
1030 LOGICAL, INTENT(IN), OPTIONAL :: pp_calc, do_zmp, doread, read_vxc local
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| H A D | atom_energy.F | 92 had_ae, had_pp, lcomp, lcond, pp_calc, & local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_basis.F | 65 pp_calc local
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| H A D | atom_pseudo.F | 77 LOGICAL :: do_gh, eri_c, eri_e, pp_calc local
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| H A D | atom_admm_methods.F | 69 LOGICAL :: pp_calc, rhf local
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| H A D | atom_types.F | 291 LOGICAL :: pp_calc component
1021 …SUBROUTINE set_atom(atom, basis, state, integrals, orbitals, potential, zcore, pp_calc, do_zmp, do… argument
1030 LOGICAL, INTENT(IN), OPTIONAL :: pp_calc, do_zmp, doread, read_vxc local
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| H A D | atom_energy.F | 92 had_ae, had_pp, lcomp, lcond, pp_calc, & local
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