wszs

error in wfn.tofile while calculating hessian

4

H, wfn2 = psi4.hessian('b3lyp', return_wfn=True) wfn2.to_file() Traceback (most recent call last): File "/root/.pycharm_helpers/pydev/pydevconsole.py", line 364, in runcode coro = func() File "", line 1, in File "/opt/anaconda3/envs/py310/lib/python3.10/site-packages/psi4/driver/p4util/python_helpers.py", line 360, in...

maybe missing "}"

3

hi friends,did you change the code recently? libscf_solver/hf.cc:772:22: error: qualified-id in declaration before ‘(’ token 772 | void HF::compute_fcpi() { | ^ i think that cause of missing "}" after...