anton/hf_again
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
5 Commits 1 Branch 0 Tags 1.2 MiB
7bb3a066b4
Commit Graph

5 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
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
Anton Ljungdahl
9e3c1a11b1 gauss legendre integration 2024-10-30 19:29:04 +01:00
Anton Ljungdahl
afa1a2be27 first commit after copy from eigsol_gpu 2024-10-29 22:33:35 +01:00
anton
58fb3925bc Initial commit 2024-10-29 21:03:57 +00:00