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Update reference log files

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exapde
2022-12-01 15:53:26 -05:00
parent 1228b89ece
commit 82375f75e4
8 changed files with 475 additions and 475 deletions
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26
examples/PACKAGES/pod/Ta/Ta_training_errors.pod
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@ -2,19 +2,19 @@
---------------------------------------------------------------------------------------------------
File | # configs | # atoms | MAE energy | RMSE energy | MAE force | RMSE force
---------------------------------------------------------------------------------------------------
Displaced_A15.xyz 9 576 0.011318 0.011365 0.113224 0.141496
Displaced_BCC.xyz 9 486 0.012168 0.013991 0.240351 0.311835
Displaced_FCC.xyz 9 432 0.001467 0.001613 0.082874 0.104039
Elastic_BCC.xyz 100 200 0.004433 0.004765 0.000010 0.000013
Elastic_FCC.xyz 100 400 0.002865 0.002924 0.000147 0.000208
GSF_110.xyz 22 528 0.005795 0.006855 0.047304 0.097750
GSF_112.xyz 22 660 0.010595 0.011570 0.123316 0.191077
Liquid.xyz 3 300 0.013227 0.015409 0.567180 0.757189
Surface.xyz 7 236 0.025393 0.037552 0.096037 0.295185
Volume_A15.xyz 30 240 0.039261 0.048655 0.000000 0.000000
Volume_BCC.xyz 21 42 0.049805 0.067606 0.000000 0.000000
Volume_FCC.xyz 31 124 0.030077 0.041763 0.000000 0.000000
Displaced_A15.xyz 9 576 0.011367 0.011414 0.113218 0.141489
Displaced_BCC.xyz 9 486 0.012103 0.013935 0.240349 0.311833
Displaced_FCC.xyz 9 432 0.001415 0.001561 0.082868 0.104031
Elastic_BCC.xyz 100 200 0.004496 0.004824 0.000010 0.000013
Elastic_FCC.xyz 100 400 0.002799 0.002859 0.000147 0.000208
GSF_110.xyz 22 528 0.005789 0.006872 0.047305 0.097753
GSF_112.xyz 22 660 0.010574 0.011541 0.123317 0.191080
Liquid.xyz 3 300 0.013246 0.015399 0.567179 0.757186
Surface.xyz 7 236 0.025384 0.037577 0.096037 0.295187
Volume_A15.xyz 30 240 0.039263 0.048657 0.000000 0.000000
Volume_BCC.xyz 21 42 0.049768 0.067660 0.000000 0.000000
Volume_FCC.xyz 31 124 0.029980 0.041697 0.000000 0.000000
---------------------------------------------------------------------------------------------------
All files 363 4224 0.012916 0.025804 0.122413 0.259832
All files 363 4224 0.012901 0.025804 0.122412 0.259831
---------------------------------------------------------------------------------------------------
**************** End of Error Analysis for the Training Data Set ****************