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Fail to convert a bundle with only input files to ase object when include_all_files=True #45

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alchem0x2A opened this issue Apr 11, 2024 · 0 comments
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Describe the bug
When calling sparc-ase gui <name>.sparc to visualize a bundle, the option include_all_files=True is always set. This causes crash of the program if the bundle only contains input files, since no raw results could be parsed.

Origin of Error
The handling of include_all_files in

if include_all_files:
,
if include_all_files:
and
for entry in raw_results:
are incorrect. The code should not rely on self.raw_results to parse into ase objects

@alchem0x2A alchem0x2A added the bug Something isn't working label Apr 11, 2024
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