/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | construct_shg.F | 622 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 …]
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H A D | generic_shg_integrals_init.F | 315 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
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H A D | generic_shg_integrals.F | 256 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | construct_shg.F | 622 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 …]
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H A D | generic_shg_integrals_init.F | 315 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
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H A D | generic_shg_integrals.F | 256 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_integrals.F | 172 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, &
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H A D | shg_integrals_test.F | 690 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)
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H A D | lri_environment_types.F | 211 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)
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H A D | lri_environment_init.F | 174 lri_env%cg_shg%ncg_none0, & 397 lri_env%cg_shg%ncg_none0, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_integrals.F | 172 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, &
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H A D | shg_integrals_test.F | 690 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)
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H A D | lri_environment_types.F | 211 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)
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H A D | lri_environment_init.F | 174 lri_env%cg_shg%ncg_none0, & 397 lri_env%cg_shg%ncg_none0, &
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