Code

Wave Functions for 3D Particles#16

Code

Closed

cortner wants to merge 7 commits intomainACEsuit/ACEpsi.jl:mainfrom 3dACEsuit/ACEpsi.jl:3dCopy head branch name to clipboard

+1,299-54

Commits

Commits on Apr 20, 2023

• starting reorganisation towards 3d

  

  cortner

  committed
  f4f5241

  Copy full SHA for f4f5241

• initial example or atomic orbitals

  

  cortner

  committed
  82bc707

  Copy full SHA for 82bc707

• fix unit tests

  

  cortner

  committed
  30e16c8

  Copy full SHA for 30e16c8

Commits on May 1, 2023

• several steps towards 3d A basis

  

  cortner

  committed
  a2bf38d

  Copy full SHA for a2bf38d

• lots of cleanup and drafting

  

  cortner

  committed
  86cc764

  Copy full SHA for 86cc764

• working but untested evaluation of A

  

  cortner

  committed
  7ea915f

  Copy full SHA for 7ea915f

Commits on May 2, 2023

• first unit test for proto_evaluate passing

  

  cortner

  committed
  ab85417

  Copy full SHA for ab85417