Errors when I ran logtodata.py #1
Description
After obtaining AIMD data from QE, I ran the data-convert script logtodata.py in this tutorial, the error was as below:
File "/SC21_DP_Tutorial/AIMD/QE/out/logtodata.py", line 12, in <module>
print(d_log_shuffled.sub_system(np.arange(i*Neach, (i+1)*Neach).tolist()).get_nframes())
File "/home/wz28l/bin/psi4conda/lib/python3.9/site-packages/dpdata/system.py", line 446, in sub_system
tmp.data[tt.name] = self.data[tt.name][tuple(new_shape)]
IndexError: index 212 is out of bounds for axis 0 with size 212