Cannot calculate eri of (obs,cabs|cabs,cabs) using mints.ao_eri() in f12

[sydong_bnu]

generate_integral.py (1.0 KB)
Hello
My code snippet:

bs1=cabs.basisset()
bs2=obs.basisset()
int_fac=IntegralFactory(bs1,bs1,bs1,bs2)
mints=MintsHelper(bs1)
mints.ao_eri(int_fac)

The error:

  File "/home/sydong/work/workspace/project/transcorrelation/transcorrelated/sydong/generate_integral.py", line 35, in <module>
    mints.ao_eri(int_fac)
RuntimeError: 
Fatal Error: If different basis sets exist in the ket, basis4 is expected to be dummy in setup_sieve()
Error occurred in file: /home/sydong/software/lcyyork/psi4-v1.9.1/psi4/src/psi4/libmints/twobody.cc on line: 282
The most recent 5 function calls were:

psi::PsiException::PsiException(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, char const*, int)
psi::Libint2TwoElectronInt::common_init()
psi::Libint2ERI::Libint2ERI(psi::IntegralFactory const*, double, int, bool, bool)
psi::IntegralFactory::eri(int, bool, bool)

What should I do to get those integrals in psi4?
Thanks in advance.

[sydong_bnu]

I just set the screening option to “NONE”,and that works