BEGIN_PROVIDER [ double precision, slater_expo, (nucl_num) ] implicit none BEGIN_DOC ! Exponents of the Slater functions END_DOC logical :: exists call ezfio_has_Hartree_Fock_SlaterDressed_slater_expo_ezfio(exists) if (exists) then slater_expo(1:nucl_num) = slater_expo_ezfio(1:nucl_num) else integer :: i do i=1,nucl_num slater_expo(i) = nucl_charge(i) enddo call ezfio_set_Hartree_Fock_SlaterDressed_slater_expo_ezfio(slater_expo) endif END_PROVIDER BEGIN_PROVIDER [ double precision, slater_coef, (nucl_num,mo_tot_num) ] implicit none BEGIN_DOC ! Exponents of the Slater functions END_DOC logical :: exists slater_coef = 0.d0 call ezfio_has_Hartree_Fock_SlaterDressed_slater_coef_ezfio(exists) if (exists) then slater_coef = slater_coef_ezfio else call ezfio_set_Hartree_Fock_SlaterDressed_slater_coef_ezfio(slater_coef) endif END_PROVIDER BEGIN_PROVIDER [ double precision, slater_normalization, (nucl_num) ] implicit none BEGIN_DOC ! Normalization of Slater functions : sqrt(expo^3/pi) END_DOC integer :: i do i=1,nucl_num slater_normalization(i) = dsqrt( slater_expo(i)**3/dacos(-1.d0) ) enddo END_PROVIDER