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Option to disable rotation in initial guess (#486)
* added option to disable rotation of orbitals before calculating the initial guess energy * small typo * added rotate option to schema_input.json * fixed small typos * remove temporary files generated by updating the input parser * update .gitignore file * Revert "update .gitignore file" This reverts commit 166c32d. * Revert "remove temporary files generated by updating the input parser" This reverts commit 8240e30. * throw warning when trying to run update_input_parser.py while python/mrchem/input_parser/plumbing/pyparsing already exists
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This file was automatically generated by parselglossy on 2024-01-29 | ||
This file was automatically generated by parselglossy on 2024-05-14 | ||
Editing is *STRONGLY DISCOURAGED* |
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# -*- coding: utf-8 -*- | ||
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# This file was automatically generated by parselglossy on 2024-01-29 | ||
# This file was automatically generated by parselglossy on 2024-05-14 | ||
# Editing is *STRONGLY DISCOURAGED* |
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