GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Functions/Subroutines | |
real(kind=cfp) function | C_G_cf (j1, m1, j2, m2, J, M) |
subroutine | Wigner3j (w3j, jmin, jmax, j2, j3, m1, m2, m3) |
This routine will be replaced by wigner_3j once I've figured out where the problem with my implementation is. More... | |
subroutine | Wigner_3j (f, j2, j3, m1, m2, m3, j_min, j_max) |
subroutine | Wigner_6j (f, j2, j3, l1, l2, l3, j_min, j_max) |
real(kind=cfp) function wigner_cf_gbl::C_G_cf | ( | integer, intent(in) | j1, |
integer, intent(in) | m1, | ||
integer, intent(in) | j2, | ||
integer, intent(in) | m2, | ||
integer, intent(in) | J, | ||
integer, intent(in) | M | ||
) |
subroutine wigner_cf_gbl::Wigner3j | ( | real(kind=cfp), dimension(:), intent(out) | w3j, |
integer, intent(out) | jmin, | ||
integer, intent(out) | jmax, | ||
integer, intent(in) | j2, | ||
integer, intent(in) | j3, | ||
integer, intent(in) | m1, | ||
integer, intent(in) | m2, | ||
integer, intent(in) | m3 | ||
) |
This routine will be replaced by wigner_3j once I've figured out where the problem with my implementation is.
subroutine wigner_cf_gbl::Wigner_3j | ( | real(kind=cfp), dimension(:), intent(out), allocatable | f, |
integer, intent(in) | j2, | ||
integer, intent(in) | j3, | ||
integer, intent(in) | m1, | ||
integer, intent(in) | m2, | ||
integer, intent(in) | m3, | ||
integer, intent(out) | j_min, | ||
integer, intent(out) | j_max | ||
) |
subroutine wigner_cf_gbl::Wigner_6j | ( | real(kind=cfp), dimension(:), intent(out), allocatable | f, |
integer, intent(in) | j2, | ||
integer, intent(in) | j3, | ||
integer, intent(in) | l1, | ||
integer, intent(in) | l2, | ||
integer, intent(in) | l3, | ||
integer, intent(out) | j_min, | ||
integer, intent(out) | j_max | ||
) |