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Unverified Commit 46c554ad authored by Ray Schireman's avatar Ray Schireman Committed by GitHub
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add keyword arguments to testAEVComputer (#619) 


Co-authored-by: default avatarRaymond G Schireman <raymond.schireman@uvm.edu>
parent 1c5ee5f1
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tests/test_cuaev.py
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...@@ -30,8 +30,8 @@ class TestCUAEVNoGPU(TestCase): ...@@ -30,8 +30,8 @@ class TestCUAEVNoGPU(TestCase):
aev_computer = torchani.AEVComputer(**consts, use_cuda_extension=True) aev_computer = torchani.AEVComputer(**consts, use_cuda_extension=True)
s = torch.jit.script(aev_computer) s = torch.jit.script(aev_computer)
# Computation of AEV using cuaev when there is no atoms does not require CUDA, and can be run without GPU # Computation of AEV using cuaev when there is no atoms does not require CUDA, and can be run without GPU
species = make_tensor((8, 0), 'cpu', torch.int64, low=-1, high=4) species = make_tensor((8, 0), device='cpu', dtype=torch.int64, low=-1, high=4)
coordinates = make_tensor((8, 0, 3), 'cpu', torch.float32, low=-5, high=5) coordinates = make_tensor((8, 0, 3), device='cpu', dtype=torch.float32, low=-5, high=5)
self.assertIn("cuaev::run", str(s.graph_for((species, coordinates)))) self.assertIn("cuaev::run", str(s.graph_for((species, coordinates))))
def testPickle(self): def testPickle(self):
......
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