Home
last modified time | relevance | path

Searched refs:cg_coeff (Results 1 – 13 of 13) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dconstruct_shg.F621 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 …]
H A Dgeneric_shg_integrals.F256 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dconstruct_shg.F621 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 …]
H A Dgeneric_shg_integrals.F256 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 …]
/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.F699 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)
H A Dlri_environment_types.F207 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)
H A Dlri_environment_init.F172 CALL get_clebsch_gordon_coefficients(lri_env%cg_shg%cg_coeff, &
395 lri_env%cg_shg%cg_coeff, &
/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.F699 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)
H A Dlri_environment_types.F207 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)
H A Dlri_environment_init.F172 CALL get_clebsch_gordon_coefficients(lri_env%cg_shg%cg_coeff, &
395 lri_env%cg_shg%cg_coeff, &
/dports/math/py-sympy/sympy-1.9/sympy/physics/quantum/
H A Dspin.py2118 cg_coeff = Mul(*[CG(*cg_term) for cg_term in cg_terms])
2121 return Sum(cg_coeff*state, *sum_terms)