/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_integrals.F | 130 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 148 scona_mix => lri_env%bas_prop(ikind)%scon_mix 170 scon_obb, scona_mix, oba_index, fba_index, & 290 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 307 scona_mix => lri_env%bas_prop(ikind)%scon_mix 329 scon_obb, scona_mix, oba_index, fba_index, & 500 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 503 NULLIFY (scon_oba, scon_obb, scon_fba, scon_fbb, scona_mix, sconb_mix, & 535 scona_mix => lri_env%bas_prop(ikind)%scon_mix 551 scon_obb, scona_mix, oba_index, fba_index, &
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H A D | shg_integrals_test.F | 700 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 724 CALL contraction_matrix_shg_mix(oba, fba, oba_index, fba_index, scona_mix) 747 scon_obb, scona_mix, oba_index, fba_index, & 757 DEALLOCATE (oba_index, fba_index, scona_mix)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_integrals.F | 130 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 148 scona_mix => lri_env%bas_prop(ikind)%scon_mix 170 scon_obb, scona_mix, oba_index, fba_index, & 290 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 307 scona_mix => lri_env%bas_prop(ikind)%scon_mix 329 scon_obb, scona_mix, oba_index, fba_index, & 500 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 503 NULLIFY (scon_oba, scon_obb, scon_fba, scon_fbb, scona_mix, sconb_mix, & 535 scona_mix => lri_env%bas_prop(ikind)%scon_mix 551 scon_obb, scona_mix, oba_index, fba_index, &
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H A D | shg_integrals_test.F | 700 REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: scona_mix, sconb_mix local 724 CALL contraction_matrix_shg_mix(oba, fba, oba_index, fba_index, scona_mix) 747 scon_obb, scona_mix, oba_index, fba_index, & 757 DEALLOCATE (oba_index, fba_index, scona_mix)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | generic_shg_integrals.F | 255 scona_mix, oba_index, fba_index, & argument 266 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scona_mix local 288 scon_obb, scona_mix, oba_index, fba_index, & 1105 SUBROUTINE int_overlap_aba_shg_low(abaint, dabdaint, rab, oba, obb, fba, scon_obb, scona_mix, & argument 1116 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scona_mix local 1226 … oba_index(:, :, iset), fba_index(:, :, kset), scona_mix, nl, nds, &
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H A D | s_contract_shg.F | 1169 lca, npgfca, nshellca, orba_index, ria_index, scona_mix, & argument 1180 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scona_mix local 1226 … + scona_mix(iil + 1, fri, forb, il + 1)*work_ppc(ipgfa, kpgfa, il - iil + 1, ids, jshellb)
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | generic_shg_integrals.F | 255 scona_mix, oba_index, fba_index, & argument 266 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scona_mix local 288 scon_obb, scona_mix, oba_index, fba_index, & 1105 SUBROUTINE int_overlap_aba_shg_low(abaint, dabdaint, rab, oba, obb, fba, scon_obb, scona_mix, & argument 1116 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scona_mix local 1226 … oba_index(:, :, iset), fba_index(:, :, kset), scona_mix, nl, nds, &
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H A D | s_contract_shg.F | 1169 lca, npgfca, nshellca, orba_index, ria_index, scona_mix, & argument 1180 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scona_mix local 1226 … + scona_mix(iil + 1, fri, forb, il + 1)*work_ppc(ipgfa, kpgfa, il - iil + 1, ids, jshellb)
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