JoshuaSBrown/QC_Tools
View on GitHubThis small repository provides functionality for calculating the charge transfer integrals between two molecules.
- Stars
- 35
- Forks
- 15
- Open beginner issues
- 0
- Indexed issues
- 14
- Dominant language
- C++
- License
- MIT
- Last GitHub push
- Feb 13, 2023
- Latest indexed
- Sep 18, 2026
- Contributing guide
- No contributing guide
- Code of conduct
- No code of conduct
- Beginner labels
- help wanted good first issue
- PR merge metrics
- No merged PRs in 30d
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Matrix Class Openenhancement help wanted
JoshuaSBrown/QC_Tools#1 · 0 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#15 · 0 comments · 0 reactions · 0 assignees ·
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enhancement
JoshuaSBrown/QC_Tools#16 · 0 comments · 0 reactions · 1 assignee ·
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JoshuaSBrown/QC_Tools#20 · 0 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#22 · 2 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#23 · 10 comments · 0 reactions · 0 assignees ·
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Support for ORCA Open
JoshuaSBrown/QC_Tools#52 · 1 comment · 0 reactions · 0 assignees ·
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good first issue help wanted
JoshuaSBrown/QC_Tools#54 · 0 comments · 0 reactions · 0 assignees ·
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Python Open
JoshuaSBrown/QC_Tools#58 · 0 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#59 · 0 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#61 · 1 comment · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#63 · 0 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#64 · 0 comments · 0 reactions · 0 assignees ·
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JoshuaSBrown/QC_Tools#66 · 0 comments · 0 reactions · 0 assignees ·