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Merge pull request #214 from jvalegre/jv_branch
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name: Bug report | ||
about: Create a report to help us improve | ||
title: '' | ||
labels: bug | ||
assignees: jvalegre | ||
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**Describe the bug** | ||
A clear and concise description of what the bug is. | ||
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**Command line** | ||
Include the command line used to run AQME (exactly as used) | ||
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**Software versions** | ||
Versions of the programs used | ||
- AQME: [e.g. v0.0.7] | ||
- Open Babel: [e.g. v0.0.7] | ||
- CREST: [e.g. v0.0.7] (if applicable) | ||
- xTB: [e.g. v0.0.7] (if applicable) | ||
- ASE, torch and ANI: [e.g. v0.0.7] (if applicable) | ||
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**Installation followed** | ||
Did you install AQME executing "pip install aqme" only, or you followed all the steps included in [ReadTheDocs](https://aqme.readthedocs.io/en/latest/Quickstart/setup.html)? | ||
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**System** | ||
- OS: [e.g. Windows 11] | ||
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**Additional information** | ||
If possible, upload a ZIP file with: | ||
- All the results generated by AQME (including folders and DAT files) | ||
- Input file(s) (if applicable) |
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name: Feature request | ||
about: Suggest an idea for this project | ||
title: '' | ||
labels: enhancement | ||
assignees: jvalegre | ||
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**Is your feature request related to a problem? Please describe.** | ||
A clear and concise description of what the problem is. Ex. I'm always frustrated when [...] | ||
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**Describe the solution you'd like** | ||
A clear and concise description of what you want to happen. | ||
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**Describe alternatives you've considered** | ||
A clear and concise description of any alternative solutions or features you've considered. | ||
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**Additional context** | ||
Add any other context or screenshots about the feature request here. |