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Ladygin kpoint convergence #64

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Ladygin kpoint convergence #64

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@vlladyg vlladyg commented Apr 18, 2025

Working on a project for structuring the convergence tracker into usable software.

vlladyg added 8 commits April 17, 2025 20:36
- Finished the parser
- Extracted the Scheduler to separate file
- Organized as a lib
- Created main script
- Finished debugging lib and binary
- Added stats save
- Separated job_runner into separate class
- made remodelling of class inits
- Organized the lib in the modular fation
- separated the metrix into the class
- Made summery notebook
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vlladyg added 5 commits April 20, 2025 22:55
- Finished calculation for 10 materials
- Removed unnesessury tests inside the folder
- Added error for vectors
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