/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | construct_shg.F | 621 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument 630 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 675 …ba(ia + mai, jb + mbj, ka + mak) = saba(ia + mai, jb + mbj, ka + mak) + cg_coeff(isoa1, isoa2, iso… 709 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument 718 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 774 … + cg_coeff(isoa1, isoa2, isoaa)*dtemp(i) 806 lcb, first_sgfcb, nshellcb, cg_coeff, cg_none0_list, & argument 815 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 897 lcb, first_sgfcb, nshellcb, cg_coeff, cg_none0_list, & argument 906 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local [all …]
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H A D | generic_shg_integrals.F | 256 cg_coeff, cg_none0_list, ncg_none0, & argument 268 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 289 cg_coeff, cg_none0_list, ncg_none0, & 315 cg_coeff, cg_none0_list, ncg_none0, & argument 327 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 348 cg_coeff, cg_none0_list, ncg_none0, & 794 obb_index, fbb_index, cg_coeff, cg_none0_list, & argument 806 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 921 cg_coeff, cg_none0_list, & 1118 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | construct_shg.F | 621 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument 630 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 675 …ba(ia + mai, jb + mbj, ka + mak) = saba(ia + mai, jb + mbj, ka + mak) + cg_coeff(isoa1, isoa2, iso… 709 lca, first_sgfca, nshellca, cg_coeff, cg_none0_list, & argument 718 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 774 … + cg_coeff(isoa1, isoa2, isoaa)*dtemp(i) 806 lcb, first_sgfcb, nshellcb, cg_coeff, cg_none0_list, & argument 815 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 897 lcb, first_sgfcb, nshellcb, cg_coeff, cg_none0_list, & argument 906 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local [all …]
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H A D | generic_shg_integrals.F | 256 cg_coeff, cg_none0_list, ncg_none0, & argument 268 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 289 cg_coeff, cg_none0_list, ncg_none0, & 315 cg_coeff, cg_none0_list, ncg_none0, & argument 327 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 348 cg_coeff, cg_none0_list, ncg_none0, & 794 obb_index, fbb_index, cg_coeff, cg_none0_list, & argument 806 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local 921 cg_coeff, cg_none0_list, & 1118 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: cg_coeff local [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_integrals.F | 171 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, &
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H A D | shg_integrals_test.F | 699 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cg_coeff 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 | 207 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cg_coeff component 431 NULLIFY (lri_env%cg_shg%cg_coeff) 518 IF (ASSOCIATED(lri_env%cg_shg%cg_coeff)) THEN 519 DEALLOCATE (lri_env%cg_shg%cg_coeff)
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H A D | lri_environment_init.F | 172 CALL get_clebsch_gordon_coefficients(lri_env%cg_shg%cg_coeff, & 395 lri_env%cg_shg%cg_coeff, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_integrals.F | 171 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, &
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H A D | shg_integrals_test.F | 699 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cg_coeff 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 | 207 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cg_coeff component 431 NULLIFY (lri_env%cg_shg%cg_coeff) 503 IF (ASSOCIATED(lri_env%cg_shg%cg_coeff)) THEN 504 DEALLOCATE (lri_env%cg_shg%cg_coeff)
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H A D | lri_environment_init.F | 172 CALL get_clebsch_gordon_coefficients(lri_env%cg_shg%cg_coeff, & 395 lri_env%cg_shg%cg_coeff, &
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/dports/math/py-sympy/sympy-1.9/sympy/physics/quantum/ |
H A D | spin.py | 2118 cg_coeff = Mul(*[CG(*cg_term) for cg_term in cg_terms]) 2121 return Sum(cg_coeff*state, *sum_terms)
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