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Searched refs:ncg_none0 (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dconstruct_shg.F622 ncg_none0, swork_cont, Waux_mat, saba) argument
632 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
663 DO ilist = 1, ncg_none0(isoa1, isoa2)
710 ncg_none0, rab, swork_cont, Waux_mat, dWaux_mat, dsaba) argument
720 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
756 DO ilist = 1, ncg_none0(isoa1, isoa2)
807 ncg_none0, swork_cont, Waux_mat, sabb) argument
817 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
848 DO ilist = 1, ncg_none0(isob1, isob2)
908 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
[all …]
H A Dgeneric_shg_integrals_init.F315 SUBROUTINE get_clebsch_gordon_coefficients(my_cg, cg_none0_list, ncg_none0, & argument
320 INTEGER, DIMENSION(:, :), POINTER :: ncg_none0 local
342 ALLOCATE (ncg_none0(nsfunc1, nsfunc2))
343 ncg_none0 = 0
398 ncg_none0(iso1, iso2) = nlist
H A Dgeneric_shg_integrals.F256 cg_coeff, cg_none0_list, ncg_none0, & argument
270 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
289 cg_coeff, cg_none0_list, ncg_none0, &
315 cg_coeff, cg_none0_list, ncg_none0, & argument
329 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
348 cg_coeff, cg_none0_list, ncg_none0, &
808 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
922 ncg_none0, swork_cont, Waux_mat, abbint)
1120 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
1233 cg_coeff, cg_none0_list, ncg_none0, &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dconstruct_shg.F622 ncg_none0, swork_cont, Waux_mat, saba) argument
632 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
663 DO ilist = 1, ncg_none0(isoa1, isoa2)
710 ncg_none0, rab, swork_cont, Waux_mat, dWaux_mat, dsaba) argument
720 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
756 DO ilist = 1, ncg_none0(isoa1, isoa2)
807 ncg_none0, swork_cont, Waux_mat, sabb) argument
817 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
848 DO ilist = 1, ncg_none0(isob1, isob2)
908 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
[all …]
H A Dgeneric_shg_integrals_init.F315 SUBROUTINE get_clebsch_gordon_coefficients(my_cg, cg_none0_list, ncg_none0, & argument
320 INTEGER, DIMENSION(:, :), POINTER :: ncg_none0 local
342 ALLOCATE (ncg_none0(nsfunc1, nsfunc2))
343 ncg_none0 = 0
398 ncg_none0(iso1, iso2) = nlist
H A Dgeneric_shg_integrals.F256 cg_coeff, cg_none0_list, ncg_none0, & argument
270 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
289 cg_coeff, cg_none0_list, ncg_none0, &
315 cg_coeff, cg_none0_list, ncg_none0, & argument
329 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
348 cg_coeff, cg_none0_list, ncg_none0, &
808 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
922 ncg_none0, swork_cont, Waux_mat, abbint)
1120 INTEGER, DIMENSION(:, :), INTENT(IN) :: ncg_none0 local
1233 cg_coeff, cg_none0_list, ncg_none0, &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_integrals.F172 lri_env%cg_shg%ncg_none0, &
185 lri_env%cg_shg%ncg_none0, &
331 lri_env%cg_shg%ncg_none0, &
344 lri_env%cg_shg%ncg_none0, &
553 lri_env%cg_shg%ncg_none0, &
563 lri_env%cg_shg%ncg_none0, &
H A Dshg_integrals_test.F690 INTEGER, DIMENSION(:, :), POINTER :: ncg_none0 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.F211 INTEGER, DIMENSION(:, :), POINTER :: ncg_none0 component
433 NULLIFY (lri_env%cg_shg%ncg_none0)
524 IF (ASSOCIATED(lri_env%cg_shg%ncg_none0)) THEN
525 DEALLOCATE (lri_env%cg_shg%ncg_none0)
H A Dlri_environment_init.F174 lri_env%cg_shg%ncg_none0, &
397 lri_env%cg_shg%ncg_none0, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_integrals.F172 lri_env%cg_shg%ncg_none0, &
185 lri_env%cg_shg%ncg_none0, &
331 lri_env%cg_shg%ncg_none0, &
344 lri_env%cg_shg%ncg_none0, &
553 lri_env%cg_shg%ncg_none0, &
563 lri_env%cg_shg%ncg_none0, &
H A Dshg_integrals_test.F690 INTEGER, DIMENSION(:, :), POINTER :: ncg_none0 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.F211 INTEGER, DIMENSION(:, :), POINTER :: ncg_none0 component
433 NULLIFY (lri_env%cg_shg%ncg_none0)
509 IF (ASSOCIATED(lri_env%cg_shg%ncg_none0)) THEN
510 DEALLOCATE (lri_env%cg_shg%ncg_none0)
H A Dlri_environment_init.F174 lri_env%cg_shg%ncg_none0, &
397 lri_env%cg_shg%ncg_none0, &