Hydrogen bond structures #783
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| run_arc(all_structures) | ||
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| post_process |
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AI 8 months ago
To fix the problem, we need to ensure that post_process is called as a function. This involves adding parentheses to the post_process statement on line 62. Additionally, we need to verify that the post_process function is defined somewhere in the code. If it is not defined, we will need to define it.
- Change the statement
post_processtopost_process(). - Ensure that the
post_processfunction is defined and performs the necessary post-processing tasks.
Suggested changeset
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arc/scripts/hb_ion_structures.py
| @@ -61,3 +61,3 @@ | ||
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| post_process | ||
| post_process() | ||
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Generate structures of an ion with hydrogen bonded water molecules