anton/hf_again
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3 Commits

Author SHA1 Message Date
Anton Ljungdahl
519a5c1dd0 more eigenvectors and some refactoring 2024-11-12 12:56:55 +01:00
Anton Ljungdahl
7bb3a066b4 gets -0.5 hartree for hydrogen ground state! need refactor and then check other l and plot wavefunctions 2024-11-02 19:47:23 +01:00
Anton Ljungdahl
b950d90719 bspline derivatives 2024-11-01 20:33:05 +01:00