Searched defs:contraction_matrix_shg_mix (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
| H A D | generic_shg_integrals_init.F | 137 SUBROUTINE contraction_matrix_shg_mix(orb_basis, ri_basis, orb_index, ri_index, scon_mix) subroutine
143 CHARACTER(len=*), PARAMETER :: routineN = 'contraction_matrix_shg_mix', & argument
144 routineP = moduleN//':'//routineN
146 INTEGER :: forb, fri, iil, il, ipgf, iset, ishell, jpgf, jset, jshell, l, l1, l2, lmax_orb, &
147 lmax_ri, maxpgf_orb, maxpgf_ri, maxshell_orb, maxshell_ri, nf_orb, nf_ri, nl, nl_max, &
148 nset_orb, nset_ri
149 INTEGER, DIMENSION(:), POINTER :: npgf_orb, npgf_ri, nshell_orb, nshell_ri
150 REAL(KIND=dp) :: cjf, const, const1, const2, gcc_orb, &
151 gcc_ri, prefac, scon1, scon2, zet
152 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: shg_fac
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| /dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
| H A D | generic_shg_integrals_init.F | 137 SUBROUTINE contraction_matrix_shg_mix(orb_basis, ri_basis, orb_index, ri_index, scon_mix) subroutine
143 CHARACTER(len=*), PARAMETER :: routineN = 'contraction_matrix_shg_mix', & argument
144 routineP = moduleN//':'//routineN
146 INTEGER :: forb, fri, iil, il, ipgf, iset, ishell, jpgf, jset, jshell, l, l1, l2, lmax_orb, &
147 lmax_ri, maxpgf_orb, maxpgf_ri, maxshell_orb, maxshell_ri, nf_orb, nf_ri, nl, nl_max, &
148 nset_orb, nset_ri
149 INTEGER, DIMENSION(:), POINTER :: npgf_orb, npgf_ri, nshell_orb, nshell_ri
150 REAL(KIND=dp) :: cjf, const, const1, const2, gcc_orb, &
151 gcc_ri, prefac, scon1, scon2, zet
152 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: shg_fac
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