Error in dmrginit.py with high symmetry

[i-gianni]

Dear developers,

As the title suggests. When I try to use the dmrginit.py tool on a molecule with a high degree of symmetry (D2h) an error occurs right at the end of the execution. Specifically, the det2mps_su2u1pg executable crashes.
Are you aware of this problem or do you thinks this might be a problem in my input?
Thanks in advance for any answer.
Best,

Ivan Giannì

[weymutht]

Could you maybe share your exact input and also the error message which you got?

[i-gianni]

debug_det2mps.zip
Yes, here attached is a zipped directory with the Input File, the FCIDUMP file, the resulting files from the command dmrginit.py <input file> and the log of the command. The error seems a simple traceback. The input is a Naftalene molecule, that is D2h simmetry group

[kszenes]

Hi Ivan,

These are legacy scripts that we have not used in a while. I can look into resolving this issue, but it will take a bit longer to debug.

Thank you for your patience,
Kalman