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TypeError: expected string or bytes-like object #9

Open thienbinh92 opened 2 years ago

thienbinh92 commented 2 years ago

Hello, I run the test lapt with the command: analyze_aimd diffusivity Li+ RUN_ 10 13 3.2 The following error appears. Can anyone please help?

/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/io/vasp/inputs.py:1737: UserWarning: Ignoring unknown variable type SHA256
  warnings.warn(f"Ignoring unknown variable type {key}")
/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/io/vasp/inputs.py:1737: UserWarning: Ignoring unknown variable type COPYR
  warnings.warn(f"Ignoring unknown variable type {key}")
/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/io/vasp/outputs.py:1098: UserWarning: No POTCAR file with matching TITEL fields was found in /Users/thienbinh/Downloads/aimd-master/aimd/tests/test_files/latp_md/RUN_10
  warnings.warn(f"No POTCAR file with matching TITEL fields was found in {os.path.abspath(p)}")
/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/io/vasp/outputs.py:1098: UserWarning: No POTCAR file with matching TITEL fields was found in /Users/thienbinh/Downloads/aimd-master/aimd/tests/test_files/latp_md/RUN_11
  warnings.warn(f"No POTCAR file with matching TITEL fields was found in {os.path.abspath(p)}")
/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/io/vasp/outputs.py:1098: UserWarning: No POTCAR file with matching TITEL fields was found in /Users/thienbinh/Downloads/aimd-master/aimd/tests/test_files/latp_md/RUN_12
  warnings.warn(f"No POTCAR file with matching TITEL fields was found in {os.path.abspath(p)}")
/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/io/vasp/outputs.py:1098: UserWarning: No POTCAR file with matching TITEL fields was found in /Users/thienbinh/Downloads/aimd-master/aimd/tests/test_files/latp_md/RUN_13
  warnings.warn(f"No POTCAR file with matching TITEL fields was found in {os.path.abspath(p)}")
Traceback (most recent call last):
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/aimd-0.1-py3.8.egg/aimd/diffusion.py", line 566, in get_conversion_factor
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/pymatgen/core/periodic_table.py", line 1173, in from_string
    m = re.search(r"([A-Z][a-z]*)([0-9.]*)([+\-]*)(.*)", species_string)
  File "/Users/thienbinh/miniconda3/lib/python3.8/re.py", line 201, in search
    return _compile(pattern, flags).search(string)
TypeError: expected string or bytes-like object

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/Users/thienbinh/miniconda3/bin/analyze_aimd", line 33, in <module>
    sys.exit(load_entry_point('aimd==0.1', 'console_scripts', 'analyze_aimd')())
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/aimd-0.1-py3.8.egg/aimd/script/analyze_aimd.py", line 321, in main
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/aimd-0.1-py3.8.egg/aimd/script/analyze_aimd.py", line 72, in Analyze_VASP_MD
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/aimd-0.1-py3.8.egg/aimd/diffusion.py", line 430, in get_summary_dict
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/aimd-0.1-py3.8.egg/aimd/diffusion.py", line 228, in get_summary_dict
  File "/Users/thienbinh/miniconda3/lib/python3.8/site-packages/aimd-0.1-py3.8.egg/aimd/diffusion.py", line 568, in get_conversion_factor
Exception: Please provide oxidation decorated specie, like Li+, O2-