Searched refs:alpha_ppnl (Results 1 – 11 of 11) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | external_potential_types.F | 398 NULLIFY (potential%alpha_ppnl) 577 IF (ASSOCIATED(potential%alpha_ppnl)) THEN 578 DEALLOCATE (potential%alpha_ppnl) 917 IF (PRESENT(alpha_ppnl)) alpha_ppnl => potential%alpha_ppnl 1114 alpha_ppnl = potential%alpha_ppnl(l) 2297 potential%alpha_ppnl(l) = 0.0_dp 2676 IF (PRESENT(alpha_ppnl)) potential%alpha_ppnl => alpha_ppnl 2938 r = SQRT(0.5_dp/potential%alpha_ppnl(l)) 3094 IF (ASSOCIATED(pot_in%alpha_ppnl)) THEN 3095 ALLOCATE (pot_out%alpha_ppnl(LBOUND(pot_in%alpha_ppnl, 1):UBOUND(pot_in%alpha_ppnl, 1))) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
H A D | external_potential_types.F | 135 REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, cexp_ppl component 391 NULLIFY (potential%alpha_ppnl) 570 IF (ASSOCIATED(potential%alpha_ppnl)) THEN 571 DEALLOCATE (potential%alpha_ppnl) 910 IF (PRESENT(alpha_ppnl)) alpha_ppnl => potential%alpha_ppnl 1107 alpha_ppnl = potential%alpha_ppnl(l) 1112 alpha_ppnl**(REAL(lprj_ppnl, dp) + 1.5_dp)/ & 2258 CALL reallocate(potential%alpha_ppnl, 0, lppnl) 2289 potential%alpha_ppnl(l) = 0.0_dp 2668 IF (PRESENT(alpha_ppnl)) potential%alpha_ppnl => alpha_ppnl [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | commutator_rpnl.F | 88 REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a local 201 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl 257 zetc(1) = alpha_ppnl(l)
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H A D | qs_interactions.F | 93 alpha_lsd, alpha_ppnl, c_local, & local 111 NULLIFY (alpha_ppnl, cexp_ppl, cprj_ppnl, zet) 174 alpha_ppnl=alpha_ppnl, & 232 exp_radius(lprj_ppnl, alpha_ppnl(l), &
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H A D | core_ppnl.F | 124 REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a local 261 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl 336 zetc(1) = alpha_ppnl(l)
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H A D | atom_kind_orbitals.F | 1195 alpha_ppnl=ap, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_interactions.F | 90 alpha_lsd, alpha_ppnl, c_local, & local 108 NULLIFY (alpha_ppnl, cexp_ppl, cprj_ppnl, zet) 169 alpha_ppnl=alpha_ppnl, & 230 exp_radius(lprj_ppnl, alpha_ppnl(l), &
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H A D | sap_kind_types.F | 304 REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a local 455 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl 520 zetc(1) = alpha_ppnl(l)
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H A D | core_ppnl.F | 130 REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a local 302 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl 356 zetc(1) = alpha_ppnl(l)
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H A D | commutator_rpnl.F | 95 REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a local 208 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl 264 zetc(1) = alpha_ppnl(l)
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H A D | atom_kind_orbitals.F | 1195 alpha_ppnl=ap, &
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