Closed kevinsung closed 5 years ago
For instance, executing the example notebook gives the error
--------------------------------------------------------------------------- AttributeError Traceback (most recent call last) <ipython-input-1-3cf684407860> in <module> 35 run_cisd=run_cisd, 36 run_ccsd=run_ccsd, ---> 37 run_fci=run_fci) 38 39 # Print out some results of calculation. ~/Projects/OpenFermion-PySCF/openfermionpyscf/_run_pyscf.py in run_pyscf(molecule, run_scf, run_mp2, run_cisd, run_ccsd, run_fci, verbose) 158 print("WARNING: RO-MP2 is not available in PySCF.") 159 else: --> 160 pyscf_mp2 = pyscf.mp.MP2(pyscf_scf) 161 pyscf_mp2.verbose = 0 162 pyscf_mp2.run() AttributeError: module 'pyscf' has no attribute 'mp'
@sunqm Do you know what's up with this? Something strange that I found is that if I do
import pyscf _ = pyscf.mp
I get the same error,
Traceback (most recent call last): File "<stdin>", line 1, in <module> AttributeError: module 'pyscf' has no attribute 'mp'
However,
from pyscf import mp
works fine.
modules like mp, ci, cc are not exported at the package level. They need to explicitly imported from the pyscf package with "from pyscf import". I updated the import code in the PR.
closed by #41
For instance, executing the example notebook gives the error
@sunqm Do you know what's up with this? Something strange that I found is that if I do
I get the same error,
However,
works fine.