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report energy in conformers_before_optimization.txt #5380

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report energy in conformers_before_optimization.txt

report energy in conformers_before_optimization.txt #5380

Triggered via push May 24, 2024 01:21
@JintaoWu98JintaoWu98
pushed 1cc8632
conf_gen_trsh
Status Success
Total duration 1h 9m 34s
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cont_int.yml

on: push
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1h 9m
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Node.js 16 actions are deprecated. Please update the following actions to use Node.js 20: actions/checkout@v3, actions/cache@v2, conda-incubator/setup-miniconda@v2, codecov/codecov-action@v3. For more information see: https://github.blog/changelog/2023-09-22-github-actions-transitioning-from-node-16-to-node-20/.
build
The following actions uses node12 which is deprecated and will be forced to run on node16: actions/cache@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
build
Mamba support is still experimental and can result in differently solved environments!