
 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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4it [04:11, 62.99s/it][A

5it [05:15, 63.27s/it][A

6it [06:20, 63.79s/it][A

7it [07:24, 64.06s/it][A

8it [08:30, 64.57s/it][A

9it [09:35, 64.85s/it][A
9it [09:35, 64.00s/it]

 99%|███████████████████████████████████████████████████████████████████████████████▍| 310/312 [6:37:35<07:34, 227.45s/it]number of frames now:  420


0it [00:00, ?it/s][A

1it [01:03, 63.54s/it][A

2it [02:09, 64.72s/it][A

3it [03:16, 66.02s/it][A

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5it [05:26, 65.36s/it][A

6it [06:32, 65.60s/it][A

7it [07:37, 65.47s/it][A
7it [07:37, 65.39s/it]

100%|███████████████████████████████████████████████████████████████████████████████▋| 311/312 [6:45:24<04:59, 299.97s/it]number of frames now:  314


0it [00:00, ?it/s][A

1it [01:02, 62.58s/it][A
1it [01:02, 62.59s/it]

100%|████████████████████████████████████████████████████████████████████████████████| 312/312 [6:46:37<00:00, 231.77s/it]
100%|█████████████████████████████████████████████████████████████████████████████████| 312/312 [6:46:37<00:00, 78.20s/it]
number of frames now:  32
Average number of active coordinate systems:  30.39423076923077
energies mae: 0.4015718163817785
energies rmse: 0.7262780772123558
forces mae per component: 0.12318265403563816
forces rmse per component: 0.2109613634181188
