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.vscode
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launch updated
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2024-04-11 12:16:23 +02:00 |
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baselines
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new baseline utils added
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2024-04-11 12:16:24 +02:00 |
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output/main
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output updated
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2024-04-11 12:16:27 +02:00 |
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qcpanel
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added root param
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2024-04-11 12:16:27 +02:00 |
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quacc
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create_dataset_dir refactored, utility funcs added
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2024-04-11 12:16:26 +02:00 |
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tests
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reworked data model
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2024-04-11 12:14:52 +02:00 |
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.editorconfig
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Binary quantifier added, support added and tested.
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2024-04-11 12:14:16 +02:00 |
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.gitignore
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gitignore updated
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2024-04-11 12:15:20 +02:00 |
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LICENSE
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Initial commit
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2024-04-11 11:54:16 +02:00 |
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README.md
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README updated
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2024-04-11 12:10:19 +02:00 |
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TODO.html
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update trailing char
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2024-04-11 12:14:51 +02:00 |
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TODO.md
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mul3w implemented
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2024-04-11 12:15:19 +02:00 |
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conf.yaml
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conf updated
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2024-04-11 12:16:28 +02:00 |
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log_remote
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log_remote script added
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2024-04-11 12:16:26 +02:00 |
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merge_data.py
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merge_data cli module added
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2024-04-11 12:16:26 +02:00 |
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poetry.lock
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poetry config files updated
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2024-04-11 12:16:26 +02:00 |
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pyproject.toml
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poetry config files updated
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2024-04-11 12:16:26 +02:00 |
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quacc.log
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conf updated
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2024-04-11 12:16:28 +02:00 |
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remote.log
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conf updated
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2024-04-11 12:16:28 +02:00 |
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remote.py
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conf updated
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2024-04-11 12:16:28 +02:00 |
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roadmap.md
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update trailing char
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2024-04-11 12:14:51 +02:00 |
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run.py
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execution modules updated
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2024-04-11 12:16:26 +02:00 |