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Searched refs:lmax_basis (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddistribution_methods.F499 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddistribution_methods.F502 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)
/dports/science/siesta/siesta-4.1.5/Src/
H A Datm_types.f52 integer :: lmax_basis ! basis l cutoff component
H A Dbasis_io.F133 $ '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))
H A Dbroadcast_basis.F88 call MPI_Bcast(spp%lmax_basis,1,MPI_integer,
H A Datm_transfer.f83 spp%lmax_basis = lomaxfis(is)
H A Datmfuncs.f111 lomaxfis = species(is)%lmax_basis
H A Dm_ncdf_siesta.F90758 dic = dic//('L_max_basis'.kv.spp%lmax_basis)