Home
last modified time | relevance | path

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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_integrals.F130 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, &
H A Dshg_integrals_test.F700 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_integrals.F130 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, &
H A Dshg_integrals_test.F700 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals.F255 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, &
H A Ds_contract_shg.F1169 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals.F255 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, &
H A Ds_contract_shg.F1169 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)