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Searched refs:cg_none0_list (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals_init.F315 SUBROUTINE get_clebsch_gordon_coefficients(my_cg, cg_none0_list, ncg_none0, & argument
319 INTEGER, DIMENSION(:, :, :), POINTER :: cg_none0_list local
344 ALLOCATE (cg_none0_list(nsfunc1, nsfunc2, nlist_max))
345 cg_none0_list = 0
392 CALL reallocate(cg_none0_list, 1, nsfunc1, 1, nsfunc2, 1, nlist)
395 cg_none0_list(iso1, iso2, nlist) = ilist
H A Dconstruct_shg.F621 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument
631 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
664 isoaa = cg_none0_list(isoa1, isoa2, ilist)
709 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument
719 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
757 isoaa = cg_none0_list(isoa1, isoa2, ilist)
816 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
849 isobb = cg_none0_list(isob1, isob2, ilist)
897 lcb, first_sgfcb, nshellcb, cg_coeff, cg_none0_list, & argument
907 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
[all …]
H A Dgeneric_shg_integrals.F256 cg_coeff, cg_none0_list, ncg_none0, & argument
269 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
289 cg_coeff, cg_none0_list, ncg_none0, &
315 cg_coeff, cg_none0_list, ncg_none0, & argument
328 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
348 cg_coeff, cg_none0_list, ncg_none0, &
794 obb_index, fbb_index, cg_coeff, cg_none0_list, & argument
807 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
921 cg_coeff, cg_none0_list, &
1119 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals_init.F315 SUBROUTINE get_clebsch_gordon_coefficients(my_cg, cg_none0_list, ncg_none0, & argument
319 INTEGER, DIMENSION(:, :, :), POINTER :: cg_none0_list local
344 ALLOCATE (cg_none0_list(nsfunc1, nsfunc2, nlist_max))
345 cg_none0_list = 0
392 CALL reallocate(cg_none0_list, 1, nsfunc1, 1, nsfunc2, 1, nlist)
395 cg_none0_list(iso1, iso2, nlist) = ilist
H A Dconstruct_shg.F621 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument
631 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
664 isoaa = cg_none0_list(isoa1, isoa2, ilist)
709 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument
719 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
757 isoaa = cg_none0_list(isoa1, isoa2, ilist)
816 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
849 isobb = cg_none0_list(isob1, isob2, ilist)
897 lcb, first_sgfcb, nshellcb, cg_coeff, cg_none0_list, & argument
907 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
[all …]
H A Dgeneric_shg_integrals.F256 cg_coeff, cg_none0_list, ncg_none0, & argument
269 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
289 cg_coeff, cg_none0_list, ncg_none0, &
315 cg_coeff, cg_none0_list, ncg_none0, & argument
328 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
348 cg_coeff, cg_none0_list, ncg_none0, &
794 obb_index, fbb_index, cg_coeff, cg_none0_list, & argument
807 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
921 cg_coeff, cg_none0_list, &
1119 INTEGER, DIMENSION(:, :, :), INTENT(IN) :: cg_none0_list local
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_integrals.F171 lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
184 … lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
330 … lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
343 … lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
552 lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
562 lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
H A Dshg_integrals_test.F691 INTEGER, DIMENSION(:, :, :), POINTER :: cg_none0_list, fba_index, fbb_index, & local
741 CALL get_clebsch_gordon_coefficients(cg_coeff, cg_none0_list, ncg_none0, maxl_orb, maxl_ri)
748 cg_coeff, cg_none0_list, ncg_none0, &
765 cg_coeff, cg_none0_list, ncg_none0, &
797 DEALLOCATE (cg_coeff, cg_none0_list, ncg_none0)
H A Dlri_environment_types.F209 INTEGER, DIMENSION(:, :, :), POINTER :: cg_none0_list component
432 NULLIFY (lri_env%cg_shg%cg_none0_list)
521 IF (ASSOCIATED(lri_env%cg_shg%cg_none0_list)) THEN
522 DEALLOCATE (lri_env%cg_shg%cg_none0_list)
H A Dlri_environment_init.F173 lri_env%cg_shg%cg_none0_list, &
396 lri_env%cg_shg%cg_none0_list, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_integrals.F171 lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
184 … lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
330 … lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
343 … lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
552 lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
562 lri_env%cg_shg%cg_coeff, lri_env%cg_shg%cg_none0_list, &
H A Dshg_integrals_test.F691 INTEGER, DIMENSION(:, :, :), POINTER :: cg_none0_list, fba_index, fbb_index, & local
741 CALL get_clebsch_gordon_coefficients(cg_coeff, cg_none0_list, ncg_none0, maxl_orb, maxl_ri)
748 cg_coeff, cg_none0_list, ncg_none0, &
765 cg_coeff, cg_none0_list, ncg_none0, &
797 DEALLOCATE (cg_coeff, cg_none0_list, ncg_none0)
H A Dlri_environment_types.F209 INTEGER, DIMENSION(:, :, :), POINTER :: cg_none0_list component
432 NULLIFY (lri_env%cg_shg%cg_none0_list)
506 IF (ASSOCIATED(lri_env%cg_shg%cg_none0_list)) THEN
507 DEALLOCATE (lri_env%cg_shg%cg_none0_list)
H A Dlri_environment_init.F173 lri_env%cg_shg%cg_none0_list, &
396 lri_env%cg_shg%cg_none0_list, &