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Implementation of the charge gradient dqdr for EEQ-BC with unit test and speed up for solve without gradient - #48

Merged
marvinfriede merged 15 commits into
dftd4:mainfrom
Thomas3R:main
Dec 10, 2025
Merged

Implementation of the charge gradient dqdr for EEQ-BC with unit test and speed up for solve without gradient#48
marvinfriede merged 15 commits into
dftd4:mainfrom
Thomas3R:main

Commits

  1. Commits on Nov 27, 2025

  2. Commits on Nov 28, 2025

  3. Commits on Dec 1, 2025

  4. Commits on Dec 2, 2025

  5. Commits on Dec 5, 2025

  6. Commits on Dec 9, 2025