update tests

ICAMS · Jan 18, 2024 · 0f3899d · 0f3899d
1 parent f09f6fc
commit 0f3899d
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Showing 4 changed files with 6 additions and 56 deletions.
diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml
@@ -48,3 +48,5 @@ jobs:
         pip install pytest
         pip install pytest-cov
         pytest tests/
+        cd examples/example_01
+        calphy_kernel -i input.yaml -k 0 -s True
diff --git a/tests/input.yaml b/tests/input.yaml
@@ -3,7 +3,7 @@ calculations:
   lattice: FCC
   lattice_constant: 0.0
   mass: 63.546
-  equilibration_control: berendsen
+  #equilibration_control: berendsen
   md:
     n_small_steps: 1000
     timestep: 0.001
@@ -25,9 +25,9 @@ calculations:
     walltime: '23:50:00'
   reference_phase: solid
   repeat:
-  - 3
-  - 3
-  - 3
+  - 4
+  - 4
+  - 4
   temperature:
   - 1300.0
   - 1400.0

diff --git a/tests/test_liquid_avg.py b/tests/test_liquid_avg.py
diff --git a/tests/test_solid_avg.py b/tests/test_solid_avg.py