program qmcpack implicit none BEGIN_DOC ! Generates a file for CHAMP END_DOC integer :: i,j read_wf = .True. TOUCH read_wf do j=1,ao_prim_num_max do i=1,ao_num ao_coef(i,j) = ao_coef(i,j) * ao_coef_normalization_factor(i) enddo enddo call ezfio_set_ao_basis_ao_coef(ao_coef) do j=1,mo_num do i=1,ao_num mo_coef(i,j) *= 1.d0/ao_coef_normalization_factor(i) enddo enddo call save_mos call system('rm '//trim(ezfio_filename)//'/mo_basis/ao_md5') call system('$QP_ROOT/src/champ/qp_convert.py '//trim(ezfio_filename)) end