int2e_rotaxis Module


Uses

  • module~~int2e_rotaxis~~UsesGraph module~int2e_rotaxis int2e_rotaxis boys_lut boys_lut module~int2e_rotaxis->boys_lut module~basis_tools basis_tools module~int2e_rotaxis->module~basis_tools module~constants constants module~int2e_rotaxis->module~constants module~int2_pairs int2_pairs module~int2e_rotaxis->module~int2_pairs module~precision precision module~int2e_rotaxis->module~precision module~basis_tools->module~constants module~basis_tools->module~precision iso_fortran_env iso_fortran_env module~basis_tools->iso_fortran_env module~atomic_structure_m atomic_structure_m module~basis_tools->module~atomic_structure_m module~io_constants io_constants module~basis_tools->module~io_constants module~parallel parallel module~basis_tools->module~parallel module~constants->module~precision module~int2_pairs->module~precision module~precision->iso_fortran_env iso_c_binding iso_c_binding module~atomic_structure_m->iso_c_binding module~parallel->module~precision module~parallel->iso_fortran_env module~parallel->iso_c_binding mpi mpi module~parallel->mpi

Used by

  • module~~int2e_rotaxis~~UsedByGraph module~int2e_rotaxis int2e_rotaxis proc~ints_exchange ints_exchange proc~ints_exchange->module~int2e_rotaxis

Subroutines

public subroutine genr22(basis, ppairs, grotspd, shell_ids, flips, cutoffs, emu2)

Arguments

Type IntentOptional Attributes Name
type(basis_set), intent(in) :: basis
type(int2_pair_storage), intent(in) :: ppairs
real(kind=dp), intent(inout) :: grotspd(*)
integer, intent(in) :: shell_ids(4)
integer, intent(out) :: flips(4)
type(int2_cutoffs_t), intent(in) :: cutoffs
real(kind=dp), optional :: emu2