Some problem on the command

[KangBaoBBS]

Hi everyone,
I'm trying to repeat the simulation of n-c12 pyrolysis (https://dx.doi.org/10.1021/acs.energyfuels.0c03211).
When I use the command "datasetbuilder -d c12.dump -c 3.5 -a C H -n c12", there are a "UnboundLocalError: local variable 'linecontent' referenced before assignment".
I have no Gaussian to make init_data. I wonder if I can get the structure in the dataset and then ues VASP to calculate the energy and forces.

Here is the problem.
Traceback (most recent call last):
File "/data/home/scv8739/.conda/envs/py37/bin/datasetbuilder", line 8, in
sys.exit(_commandline())
File "/data/home/scv8739/.conda/envs/py37/lib/python3.7/site-packages/mddatasetbuilder/datasetbuilder.py", line 722, in _commandline
errorlimit=args.errorlimit,
File "/data/home/scv8739/.conda/envs/py37/lib/python3.7/site-packages/mddatasetbuilder/datasetbuilder.py", line 114, in init
errorlimit=errorlimit,
File "/data/home/scv8739/.conda/envs/py37/lib/python3.7/site-packages/mddatasetbuilder/detect.py", line 23, in init
self.steplinenum = self._readN()
File "/data/home/scv8739/.conda/envs/py37/lib/python3.7/site-packages/mddatasetbuilder/detect.py", line 156, in _readN
if linecontent == self.LineType.NUMBER:
UnboundLocalError: local variable 'linecontent' referenced before assignment

[njzjz]

It seems your file doesn't start with ITEM: TIMESTEP.

Xyz files will be also generated.