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metatensor · Dec 13, 2024 · 5ea4728 · 5ea4728
1 parent 3089df2
commit 5ea4728
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Showing 2 changed files with 4 additions and 8 deletions.
diff --git a/python/featomic/tests/clebsch_gordan/equivariant_power_spectrum.py b/python/featomic/tests/clebsch_gordan/equivariant_power_spectrum.py
@@ -15,7 +15,6 @@
 import ase.io  # noqa: E402, F811
 
 
-MAX_ANGULAR = 2
 SPHEX_HYPERS_SMALL = {
     "cutoff": {
         "radius": 2.5,
@@ -27,7 +26,7 @@
     },
     "basis": {
         "type": "TensorProduct",
-        "max_angular": MAX_ANGULAR,
+        "max_angular": 2,
         "radial": {"type": "Gto", "max_radial": 1},
     },
 }

diff --git a/python/featomic_torch/tests/clebsch_gordan/equivariant_power_spectrum.py b/python/featomic_torch/tests/clebsch_gordan/equivariant_power_spectrum.py
@@ -6,10 +6,9 @@
 from featomic.torch.clebsch_gordan import EquivariantPowerSpectrum
 
 
-MAX_ANGULAR = 2
 SPHEX_HYPERS_SMALL = {
     "cutoff": {
-        "radius": 2.5,
+        "radius": 5.5,
         "smoothing": {"type": "ShiftedCosine", "width": 0.5},
     },
     "density": {
@@ -18,10 +17,8 @@
     },
     "basis": {
         "type": "TensorProduct",
-        # use a small basis to make the tests faster
-        # FIXME: setting max_angular=1 breaks the tests
-        "max_angular": MAX_ANGULAR,
-        "radial": {"type": "Gto", "max_radial": 1},
+        "max_angular": 6,
+        "radial": {"type": "Gto", "max_radial": 4},
     },
 }