Searched refs:per_pot (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_gpw_energy.F | 406 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 409 NULLIFY (pgf, pot, per_pot, xdat, ydat, zdat) 422 per_pot => per_potentials(IRadTyp)%pot 423 n_rep_real = per_pot%n_rep_real 566 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 578 per_pot => per_potentials(IRadTyp)%pot 579 pw => per_pot%TabLR 585 Atoms: DO Imm = 1, SIZE(per_pot%mm_atom_index) 590 LIndMM = per_pot%mm_atom_index(Imm)
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H A D | qmmm_gpw_forces.F | 630 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 635 NULLIFY (pgf, pot, per_pot) 642 per_pot => per_potentials(IRadTyp)%pot 643 n_rep_real = per_pot%n_rep_real 819 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 834 per_pot => per_potentials(IRadTyp)%pot 835 pw => per_pot%TabLR 844 Atoms: DO Imm = 1, SIZE(per_pot%mm_atom_index) 849 LIndMM = per_pot%mm_atom_index(Imm)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_gpw_energy.F | 406 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 409 NULLIFY (pgf, pot, per_pot, xdat, ydat, zdat) 422 per_pot => per_potentials(IRadTyp)%pot 423 n_rep_real = per_pot%n_rep_real 566 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 578 per_pot => per_potentials(IRadTyp)%pot 579 pw => per_pot%TabLR 585 Atoms: DO Imm = 1, SIZE(per_pot%mm_atom_index) 590 LIndMM = per_pot%mm_atom_index(Imm)
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H A D | qmmm_gpw_forces.F | 630 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 635 NULLIFY(pgf, pot, per_pot) 642 per_pot => per_potentials(IRadTyp)%pot 643 n_rep_real = per_pot%n_rep_real 819 TYPE(qmmm_per_pot_type), POINTER :: per_pot local 834 per_pot => per_potentials(IRadTyp)%pot 835 pw => per_pot%TabLR 844 Atoms: DO Imm = 1, SIZE(per_pot%mm_atom_index) 849 LIndMM = per_pot%mm_atom_index(Imm)
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