Code

Add thermal conductivity workflow#27

Code

Open

chiang-yuan wants to merge 15 commits intomainatomind-ai/mlip-arena:mainfrom dev/tcatomind-ai/mlip-arena:dev/tcCopy head branch name to clipboard

+1,739-1

Commits

Commits on Dec 14, 2024

• add tc workflow

  chiang-yuan

  committed
  e971073

  Copy full SHA for e971073

• more license info

  chiang-yuan

  committed
  fad7f03

  Copy full SHA for fad7f03

Commits on Dec 23, 2024

• Merge branch 'main' into dev/tc

  chiang-yuan

  committed
  b4e5796

  Copy full SHA for b4e5796

• add license

  chiang-yuan

  committed
  5be6099

  Copy full SHA for 5be6099

• chain task together into a flow

  chiang-yuan

  committed
  4ee3889

  Copy full SHA for 4ee3889

• Merge branch 'main' into dev/tc

  chiang-yuan

  committed
  8879c0b

  Copy full SHA for 8879c0b

• add test file

  chiang-yuan

  committed
  29ae246

  Copy full SHA for 29ae246

• pass unit test locally

  chiang-yuan

  committed
  4712f6e

  Copy full SHA for 4712f6e

• install phonon test dependency

  chiang-yuan

  committed
  57cb434

  Copy full SHA for 57cb434

• install lapacke

  chiang-yuan

  committed
  0a42ef5

  Copy full SHA for 0a42ef5

• debug lapacke incorrect link

  chiang-yuan

  committed
  c4948ad

  Copy full SHA for c4948ad

• add blas

  chiang-yuan

  committed
  7d1d77c

  Copy full SHA for 7d1d77c

• remove phono3py in test suite for now

  chiang-yuan

  committed
  5822a6e

  Copy full SHA for 5822a6e

• move imports inside the test

  chiang-yuan

  committed
  f9a33ff

  Copy full SHA for f9a33ff

• update notebook example

  chiang-yuan

  committed
  503be18

  Copy full SHA for 503be18