
 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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 96%|█████████████████████████████████████████████████████████████████████████████▊   | 299/311 [7:22:03<17:24, 87.06s/it]number of frames now:  4


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 96%|██████████████████████████████████████████████████████████████████████████████▏  | 300/311 [7:23:09<14:46, 80.60s/it]number of frames now:  36


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 97%|█████████████████████████████████████████████████████████████████████████████▍  | 301/311 [7:28:00<23:56, 143.69s/it]number of frames now:  4


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 97%|█████████████████████████████████████████████████████████████████████████████▋  | 302/311 [7:28:07<15:24, 102.78s/it]number of frames now:  1


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 98%|███████████████████████████████████████████████████████████████████████████████▏ | 304/311 [7:30:04<09:21, 80.21s/it]number of frames now:  8


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100%|███████████████████████████████████████████████████████████████████████████████▋| 310/311 [7:39:47<01:53, 113.38s/it]number of frames now:  2


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100%|█████████████████████████████████████████████████████████████████████████████████| 311/311 [7:40:50<00:00, 98.31s/it]
100%|█████████████████████████████████████████████████████████████████████████████████| 311/311 [7:40:50<00:00, 88.91s/it]
number of frames now:  1
Average number of active coordinate systems:  34.530546623794216
energies mae: 0.4237609413374007
energies rmse: 0.668212440462895
forces mae per component: 0.11539278633770465
forces rmse per component: 0.18130867446593077
