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Add issue and PR templates (ddmms#29)
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‎.github/ISSUE_TEMPLATE/1_new_benchmark.yml‎

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name: New benchmark
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description: Propose or discuss a new benchmark for existing models
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labels: ["new benchmark"]
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body:
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- type: textarea
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attributes:
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label: Summary
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description: |
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A clear and concise summary of the new benchmark. What application and properties are of interest?
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validations:
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required: true
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- type: textarea
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attributes:
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label: Interactive features
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description: |
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How would you like to explore the results of your benchmark?
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validations:
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required: false
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- type: textarea
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attributes:
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label: Category
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description: |
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Which category does the new benchmark belong in? This can already exist, or you may propose a new one.
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validations:
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required: false
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- type: textarea
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attributes:
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label: Data availability
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description: What reference data is available? If this is theoretical, at what level of theory?
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validations:
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required: false
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- type: textarea
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attributes:
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label: Computational cost
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description: If possible, estimate how long the benchmark would take to run on a typical model.
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validations:
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required: false
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- type: textarea
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attributes:
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label: Additional context
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description: Add any other context, or example implementations.
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validations:
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required: false

‎.github/ISSUE_TEMPLATE/2_new_model.yml‎

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name: New model
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description: Propose or discuss benchmarking a new model.
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labels: ["new model"]
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body:
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- type: textarea
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attributes:
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label: Summary
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description: |
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A clear and concise description of the model. Please include any relevant references.
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validations:
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required: true
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- type: textarea
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attributes:
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label: Model availability
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description: |
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Is the model publicly available? Please share any links.
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validations:
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required: true
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- type: textarea
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attributes:
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label: Training data
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description: |
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What data was used to train the model? Is this publicly available?
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validations:
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required: true
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- type: textarea
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attributes:
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label: Model architecture
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description: |
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Does the model require a new calculator class, or are other models of similar
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architecture already supported?
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validations:
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required: false
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- type: textarea
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attributes:
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label: Additional context
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description: Add any other context, or examples of use.
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validations:
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required: false

‎.github/ISSUE_TEMPLATE/3_bug_report.yml‎

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name: Bug report
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description: Create a report to help us improve
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labels: ["bug"]
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body:
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- type: textarea
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attributes:
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label: Summary
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description: |
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A clear and concise description of the bug, including a minimal reproducible example.
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Please include your full output with the complete error message.
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validations:
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required: true
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- type: input
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attributes:
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label: Platform
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description: What operating system and architecture are you using? (e.g. `uname -orsm`)
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placeholder: e.g., macOS 14 arm64, Windows 11 x86_64, Ubuntu 20.04 amd64
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validations:
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required: true
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- type: input
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attributes:
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label: Python version
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description: What version of Python are you using? (e.g. `python3 --version`)
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placeholder: e.g., Python 3.12.6
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validations:
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required: false

‎.github/ISSUE_TEMPLATE/4_feature_request.yml‎

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name: Feature request
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description: Suggest a new feature or improvement
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labels: ["enhancement"]
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body:
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- type: markdown
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attributes:
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value: |
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**Please select the `New benchmark` issue template to propose or discuss new benchmarks.**
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- type: textarea
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attributes:
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label: Summary
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description: |
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A clear and concise description of what new feature or behaviour you would like to see.
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If applicable, please describe the current behaviour as well.
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validations:
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required: true
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- type: textarea
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attributes:
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label: Example
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description: Provide an example of how the user experience would change or how the new feature would be used.
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validations:
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required: false
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- type: textarea
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attributes:
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label: Alternatives
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description: A clear and concise description of any alternative solutions or features you've considered.
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validations:
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required: false
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- type: textarea
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attributes:
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label: Additional context
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description: Add any other context or screenshots about the feature request here.
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validations:
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required: false

‎.github/ISSUE_TEMPLATE/5_question.yml‎

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name: Question
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description: Ask a question about mlip-testing
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labels: ["question"]
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body:
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- type: markdown
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attributes:
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value: |
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**Please select the `New benchmark` issue template to propose or discuss new benchmarks.**
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- type: textarea
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attributes:
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label: Question
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description: Describe your question in detail.
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validations:
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required: true
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- type: input
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attributes:
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label: Platform
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description: What operating system and architecture are you using? (e.g. `uname -orsm`)
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placeholder: e.g., macOS 14 arm64, Windows 11 x86_64, Ubuntu 20.04 amd64
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validations:
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required: false

‎.github/ISSUE_TEMPLATE/config.yml‎

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blank_issues_enabled: true
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contact_links:
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- name: Documentation
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url: https://ddmms.github.io/mlip-testing/
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about: Please consult the documentation before creating an issue.

‎.github/PULL_REQUEST_TEMPLATE.md‎

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Please click the `Preview` tab and select a PR template:
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- [New benchmark for existing models](?expand=1&template=new_benchmark.md&labels=new+benchmark)
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- [Benchmark a new model](?expand=1&template=new_model.md&labels=new+model)
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- [All other proposed changes](?expand=1&template=custom.md)

‎.github/PULL_REQUEST_TEMPLATE/custom.md‎

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<!--
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Thank you for contributing! To help us out with reviewing, please consider the following:
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- Does this pull request include a summary of the change (see below)?
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- Does this pull request include a descriptive title?
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- Does this pull request link to an issue (see below)?
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-->
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## Pre-review checklist for PR author
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PR author **must** check the checkboxes below when creating the PR.
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- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md).
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## Summary
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<!-- Describe your proposed changes. This can be brief, as most information can be in the linked issue. -->
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## Linked issue
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<!-- Enter the number of the issue this resolves. -->
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Resolves #
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## Testing
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<!-- How have your proposed changes been tested? -->

‎.github/PULL_REQUEST_TEMPLATE/new_benchmark.md‎

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<!--
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Thank you for contributing! To help us out with reviewing, please consider the following:
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- Does this pull request include a summary of the change (see below)?
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- Does this pull request include a descriptive title?
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- Does this pull request link to a "new benchmark" issue (see below)?
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-->
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## Pre-review checklist for PR author
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PR author **must** check the checkboxes below when creating the PR.
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- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md).
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## Summary
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<!-- Summarise the new benchmark. This can be brief, as most information should be in the linked issue. -->
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## Linked issue
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<!-- Enter the number of the issue this resolves. This should be labelled as "new benchmark" -->
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Resolves #
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## Progress
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<!-- Which aspects of the new benchmark are complete? -->
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- [ ] Calculations
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- [ ] Analysis
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- [ ] Application
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## Testing
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<!-- Which models have you tested your benchmark on? -->
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## New decorators/callbacks
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<!-- Are new callbacks required for the interactivity you need? -->

‎.github/PULL_REQUEST_TEMPLATE/new_model.md‎

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<!--
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Thank you for contributing! To help us out with reviewing, please consider the following:
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- Does this pull request include a summary of the change (see below)?
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- Does this pull request include a descriptive title?
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- Does this pull request link to a "new model" issue (see below)?
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-->
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## Pre-review checklist for PR author
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PR author **must** check the checkboxes below when creating the PR.
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- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md).
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## Summary
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<!-- Describe the new model. This can be brief, as most information should be in the linked issue. -->
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## Linked issue
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<!-- Enter the number of the issue this resolves. This should be labelled as "new model" -->
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Resolves #
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## Testing
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<!-- Which benchmarks have you tested your model against? -->

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