I tried to print out the information of a basis set (exponents and contractions)
molecule h2 {
0 1
H
H 1 r
r = 0.7414
}
set {
reference rhf
scf_type pk
basis cc-pVDZ
}
print_detail_out()
energy('hf')
and I got (with psi4 1.6.1)
Printing out the relevant lines from the Psithon --> Python processed input file:
""","h2")
core.IO.set_default_namespace("h2")
core.set_global_option("REFERENCE", "rhf")
core.set_global_option("SCF_TYPE", "pk")
core.set_global_option("BASIS", "cc-pVDZ")
--> print_detail_out()
energy('hf')
!-----------------------------------------!
! !
! name 'print_detail_out' is not defined !
! !
!-----------------------------------------!
It seems the API page is beyond my comprehension PSI4 API: Linking C++ and Python. Then, how to print out the basis set information? Thank you very much