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DFTAtomCompPhys

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Analyzed 22 days ago. based on code collected 23 days ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 30, 2024 — Jan 30, 2025 Showing page 3 of 5 Search / Filter on:
Code quality improvement	Adrian Roman	More...				about 3 years ago
Code quality improvement	Adrian Roman	More...				about 3 years ago
Improved code quality	Adrian Roman	More...				about 3 years ago
Switched to C++ 17	Adrian Roman	More...				over 3 years ago
Create .gitignore	Adrian Roman	More...				over 4 years ago
Added libs for 32 bits variant (not tested)	Adrian Roman	More...				about 5 years ago
Removed the output of a std::endl from AufbauPrinciple	Adrian Roman	More...				about 5 years ago
Made options Open/Close protected	Adrian Roman	More...				about 5 years ago
Added destructor to options, closing/reopening when assigning	Adrian Roman	More...				about 5 years ago
Avoid double deletion if options is copied	Adrian Roman	More...				about 5 years ago
Better checking for uniform/non uniform grid in Numerov	Adrian Roman	More...				about 5 years ago
Changed integral functions from double to templates that should support different types, if need arises	Adrian Roman	More...				about 5 years ago
Update README.md	Adrian Roman	More...				about 5 years ago
Added GetWavefunctionValue functions in NumerovFunction for uniform and non uniform grids, they were useful in the APW project	Adrian Roman	More...				over 5 years ago
Fixed a function call in a not used function. Just in case it will be ever used.	Adrian Roman	More...				over 5 years ago
Reduced the max number of iterations for locating the energy	Adrian Roman	More...				over 5 years ago
Be consistent in naming for both uniform and non uniform grids. Changed R to Source	Adrian Roman	More...				over 5 years ago
Added trapezoid integration. Not tested, but it should work. It's for comparison purposes.	Adrian Roman	More...				over 5 years ago
Updated link to the blog description in README.md	Adrian Roman	More...				over 5 years ago
type in README.md	Adrian Roman	More...				over 5 years ago
typo in README.md	Adrian Roman	More...				over 5 years ago
Updated results in README.md for Radon for the latest parameters used	Adrian Roman	More...				over 5 years ago
Some improvements and a fix to a function that is not used	Adrian Roman	More...				over 5 years ago
Improved the speed of computing the max radius to start integration from	Adrian Roman	More...				over 5 years ago
Updated result in README.md	Adrian Roman	More...				over 5 years ago
Better calculation of the starting position for Numerov integration	Adrian Roman	More...				over 5 years ago
Better guess for far boundary values, back to the very approximate max radio computation	Adrian Roman	More...				over 5 years ago
Changes to max radius and far boundary value to non-uniform grid computation	Adrian Roman	More...				over 5 years ago
Modified Aufbau to account for Madelung exceptions	Adrian Roman	More...				over 5 years ago
Added code to use a uniform grid, for testing/comparison purposes. Enlarged the max radius for starting integration.	Adrian Roman	More...				over 5 years ago

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