[BUG] could not convert string to float

[TongaoY]

Bug summary

Traceback (most recent call last): File "d:\work\keti\dm\dptrain\2024-3-3-Mg\data.py", line 5, in data = dpdata.LabeledSystem('2024-3-3-Mg\OUTCAR', fmt = 'vasp/outcar') File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\system.py", line 183, in init self.from_fmt( File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\system.py", line 220, in from_fmt return self.from_fmt_obj(load_format(fmt), file_name, **kwargs) File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\system.py", line 1113, in from_fmt_obj data = fmtobj.from_labeled_system(file_name, **kwargs) File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\plugins\vasp.py", line 79, in from_labeled_system ) = dpdata.vasp.outcar.get_frames( File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\vasp\outcar.py", line 76, in get_frames coord, cell, energy, force, virial, is_converge = analyze_block( File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\vasp\outcar.py", line 174, in analyze_block info = [float(ss) for ss in tmp_l.split()] File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\vasp\outcar.py", line 174, in info = [float(ss) for ss in tmp_l.split()] ValueError: could not convert string to float: '-----------------------------------------------------------------------------------' 有时还会出现IndexError: list index out of range dp.zip

dpdata Version

0.2.17

Input Files, Running Commands, Error Log, etc.

Traceback (most recent call last): File "d:\work\keti\dm\dptrain\2024-3-3-Mg\data.py", line 5, in data = dpdata.LabeledSystem('2024-3-3-Mg\OUTCAR', fmt = 'vasp/outcar') File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\system.py", line 183, in init self.from_fmt( File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\system.py", line 220, in from_fmt return self.from_fmt_obj(load_format(fmt), file_name, **kwargs) File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\system.py", line 1113, in from_fmt_obj data = fmtobj.from_labeled_system(file_name, **kwargs) File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\plugins\vasp.py", line 79, in from_labeled_system ) = dpdata.vasp.outcar.get_frames( File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\vasp\outcar.py", line 76, in get_frames coord, cell, energy, force, virial, is_converge = analyze_block( File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\vasp\outcar.py", line 174, in analyze_block info = [float(ss) for ss in tmp_l.split()] File "C:\Users\13706\AppData\Roaming\Python\Python310\site-packages\dpdata\vasp\outcar.py", line 174, in info = [float(ss) for ss in tmp_l.split()] ValueError: could not convert string to float: '-----------------------------------------------------------------------------------' 有时还会出现IndexError: list index out of range dp.zip

Steps to Reproduce

import dpdata import numpy as np

data = dpdata.LabeledSystem('OUTCAR', fmt = 'vasp/outcar') print('# the data contains %d frames' % len(data))

Further Information, Files, and Links

No response