
 hme21_sp_hypers_selected.yaml 

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/workspace/pet_latest/sp_frames_calculator.py:128: ComplexWarning: Casting complex values to real discards the imaginary part
  self.lambert_constant = torch.tensor(float(lambertw(np.exp(-1.0))))

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number of frames now:  1
Average number of active coordinate systems:  50.131410256410255
energies mae: 0.46360575096089907
energies rmse: 0.9879739038835084
forces mae per component: 0.13352414510333283
forces rmse per component: 0.219079621293098
