Searched refs:lmax_basis (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | distribution_methods.F | 499 INTEGER, DIMENSION(:), POINTER :: lmax_basis, molecule_list local 585 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 586 cluster_price = MAXVAL(lmax_basis) 589 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 590 cluster_price = 8 + (MAXVAL(lmax_basis)**2) 612 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 613 cluster_price = cluster_price + MAXVAL(lmax_basis) 616 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 617 cluster_price = cluster_price + 8 + (MAXVAL(lmax_basis)**2)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | distribution_methods.F | 502 INTEGER, DIMENSION(:), POINTER :: lmax_basis, molecule_list local 588 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 589 cluster_price = MAXVAL(lmax_basis) 592 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 593 cluster_price = 8 + (MAXVAL(lmax_basis)**2) 615 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 616 cluster_price = cluster_price + MAXVAL(lmax_basis) 619 CALL get_gto_basis_set(orb_basis_set, lmax=lmax_basis) 620 cluster_price = cluster_price + 8 + (MAXVAL(lmax_basis)**2)
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | atm_types.f | 52 integer :: lmax_basis ! basis l cutoff component
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H A D | basis_io.F | 133 $ 'L_max_basis',spp%lmax_basis) 482 read(unit,*) p%lmax_basis, p%n_orbnl 562 $ 'L_max_basis',spp%lmax_basis) 969 write(unit,'(2i4,22x,a)') p%lmax_basis, p%n_orbnl, 1010 call xml_dump_element(lun,'lmax_basis',str(spp%lmax_basis))
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H A D | broadcast_basis.F | 88 call MPI_Bcast(spp%lmax_basis,1,MPI_integer,
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H A D | atm_transfer.f | 83 spp%lmax_basis = lomaxfis(is)
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H A D | atmfuncs.f | 111 lomaxfis = species(is)%lmax_basis
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H A D | m_ncdf_siesta.F90 | 758 dic = dic//('L_max_basis'.kv.spp%lmax_basis)
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