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quantum_package/src/AOs/tests/test_aos.irp.f

17 lines
426 B
Fortran

program test_aos
implicit none
integer :: i,j,n
character*(32), parameter :: f = '(A,i3,x,i2,x,A,E25.16)'
do i=1,ao_num
print *, 'nucl', i, ':', ao_nucl(i)
do j=1,ao_prim_num(i)
print f, 'expo', i, j, ':', ao_expo_transp(j,i)
print f, 'coef', i, j, ':', ao_coef_transp(j,i)
enddo
do j=1,3
print *, 'power',i, j, ':', ao_power(i,j)
enddo
enddo
end