ReactionMechanismGenerator / T3

The Tandem Tool (T3) for automated chemical kinetic model development
https://reactionmechanismgenerator.github.io/T3/
MIT License
12 stars 5 forks source link

Backup key files and folder from an RMG run before restarting it #159

Closed alongd closed 2 months ago

alongd commented 3 months ago

To avoid loosing info, especially when reading sources of reactions in SA

codecov-commenter commented 3 months ago

Codecov Report

Attention: Patch coverage is 48.14815% with 14 lines in your changes missing coverage. Please review.

Project coverage is 47.30%. Comparing base (02a730d) to head (c05b7fc).

Files Patch % Lines
t3/runners/rmg_runner.py 48.14% 12 Missing and 2 partials :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #159 +/- ## ========================================== + Coverage 47.19% 47.30% +0.11% ========================================== Files 25 25 Lines 3405 3420 +15 Branches 917 922 +5 ========================================== + Hits 1607 1618 +11 - Misses 1595 1597 +2 - Partials 203 205 +2 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/T3/pull/159/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/ReactionMechanismGenerator/T3/pull/159/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `47.30% <48.14%> (+0.11%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator#carryforward-flags-in-the-pull-request-comment) to find out more.

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