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lines changed Original file line number Diff line number Diff line change 1- etotref -74.3929555830920890
2- etotperatomref -14.8785911166
3- totalforceref 778.174226
4- totalstressref 1272.711619
5- totaldosref 11.9083
1+ etotref -74.3929556166736603
2+ etotperatomref -14.8785911233
3+ totalforceref 778.174241
4+ totalstressref 1272.711589
5+ totaldosref 12
66deepks_desc 8.045214
7- deepks_dm_eig 29.53046024463444
8- totaltimeref 1.08
7+ deepks_dm_eig 29.53046025202608
8+ totaltimeref 1.12
Original file line number Diff line number Diff line change 1- etotref -469.5735907867860988
2- etotperatomref -156.5245302623
3- totalforceref 330.972667
4- totalstressref 24771.556574
1+ etotref -469.5735907784966230
2+ etotperatomref -156.5245302595
3+ totalforceref 330.972666
4+ totalstressref 24771.556634
55totaldosref 28
66deepks_desc 2.126589
7- deepks_dm_eig 10.532812133871168
8- totaltimeref 1.43
7+ deepks_dm_eig 10.532812121143177
8+ totaltimeref 1.83
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