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Commit 207e34c

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update deepks examples
1 parent 8fee792 commit 207e34c

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2 files changed

+13
-13
lines changed

2 files changed

+13
-13
lines changed
Lines changed: 7 additions & 7 deletions
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etotref -74.3929555830920890
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etotperatomref -14.8785911166
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totalforceref 778.174226
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totalstressref 1272.711619
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totaldosref 11.9083
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etotref -74.3929556166736603
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etotperatomref -14.8785911233
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totalforceref 778.174241
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totalstressref 1272.711589
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totaldosref 12
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deepks_desc 8.045214
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deepks_dm_eig 29.53046024463444
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totaltimeref 1.08
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deepks_dm_eig 29.53046025202608
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totaltimeref 1.12
Lines changed: 6 additions & 6 deletions
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etotref -469.5735907867860988
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etotperatomref -156.5245302623
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totalforceref 330.972667
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totalstressref 24771.556574
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etotref -469.5735907784966230
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etotperatomref -156.5245302595
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totalforceref 330.972666
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totalstressref 24771.556634
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totaldosref 28
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deepks_desc 2.126589
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deepks_dm_eig 10.532812133871168
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totaltimeref 1.43
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deepks_dm_eig 10.532812121143177
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totaltimeref 1.83

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