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Description:
Currently, the project correctly extracts Cartesian coordinates from ORCA/Gaussian log files under normal conditions. However, in real-world use, several edge cases can occur that may cause parsing failures or incomplete outputs.
Description:
Currently, the project correctly extracts Cartesian coordinates from ORCA/Gaussian log files under normal conditions. However, in real-world use, several edge cases can occur that may cause parsing failures or incomplete outputs.