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unable to read extxyz with inf #458

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PythonFZ opened this issue Mar 1, 2024 · 0 comments · Fixed by #481
Closed

unable to read extxyz with inf #458

PythonFZ opened this issue Mar 1, 2024 · 0 comments · Fixed by #481
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PythonFZ commented Mar 1, 2024 •
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The following file can not be read by ZnDraw due to stress being inf

File:

1
Properties=species:S:1:pos:R:3:initial_charges:R:1:momenta:R:3:forces:R:3 energy=-12 stress="inf -inf inf -inf inf inf inf inf inf" free_energy=-35.98986144805387 pbc="F F F"
S       -1.22570970       1.24498115      -0.37440755      -0.16000000      -2.19787379       2.36687029       0.30217813       0.53659351      -1.84294192       0.62021089
@PythonFZ PythonFZ added the bug Something isn't working label May 23, 2024
@PythonFZ PythonFZ linked a pull request Jun 15, 2024 that will close this issue
Use znjson instead of znframe #481
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Use znjson instead of znframe zincware/ZnDraw
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