Code

KSpace definition#71

Code

Merged

JosePizarro3 merged 16 commits intodevelopnomad-coe/nomad-simulations:developfrom 69-kspace-definitionnomad-coe/nomad-simulations:69-kspace-definitionCopy head branch name to clipboardMay 27, 2024

+1,076-126

Commits

Commits on May 22, 2024

• Improved numerical_settings schema for KSpace

  Show description for e0230c7
  JosePizarro3

  committed
  e0230c7

• Added testing for KSpace

  Show description for 934a10d
  JosePizarro3

  committed
  934a10d

• Add todo in testing

  JosePizarro3

  committed
  7b989cb

• Fixed mypy

  JosePizarro3

  committed
  cc4e053

• Added testing for KMesh

  JosePizarro3

  committed
  d5cb274

• Fixed name of ref in KMesh and KLinePath variables

  JosePizarro3

  committed
  ff3df34

• Fix numerical settings high_symmetry_path quantity

  Show description for 19dd218
  JosePizarro3

  committed
  19dd218

• Changed high_symmetry_path to 2 quantities and fixed tests

  JosePizarro3

  committed
  efd3b13

• Added functional approach for get_high_symmetry_path_norms

  JosePizarro3

  committed
  a650d88

• Added functional programming for KLinePath.resolve_points

  Show description for a9bdac2
  JosePizarro3

  committed
  a9bdac2

Commits on May 27, 2024

• Added abstract class KMeshBase and functionalities in KLinePath

  JosePizarro3

  committed
  0113056

• Fix KMeshBase and changed name to KSpaceFunctionalities

  JosePizarro3

  committed
  c75baeb

• Fixed test for KSpaceFunctionalities

  JosePizarro3

  committed
  b271a92

• Fix testing for KMesh and KLinePath

  JosePizarro3

  committed
  53c934e

• Changed points in KMesh and KLinePath variables to be references instead of copy the information

  JosePizarro3

  committed
  21426fe

• Deleted line in KMesh(Variables)

  JosePizarro3

  committed
  4b83e2e