Hi,
I attempted to generate RDF files using the provided script/workflow. The files were generated, but the final values in each file are -nan and -inf. I have attached:
- A sample RDF file that shows the issue
- The simulation input file that produced it
Could you please check and advise what might be causing this behavior?
rdf_C1_S_S.s0.txt
rdf_Li16_S_S.s0.txt
rdf_N1_S_S.s0.txt
simulation.json
Thanks in advance!