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fix : modify result.ref for SiO2. The privious modification don't change totaldes wrongly.
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  • tests/deepks/603_NO_deepks_SiO2_bandgap_multik

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Lines changed: 8 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -1,11 +1,11 @@
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etotref -1946.6192712235854287
1+
etotref -1946.6192712234942519
22
etotperatomref -324.4365452039
33
totalforceref 32.200542
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totalstressref 111.359237
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totaldes 13.257773
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deepks_e_dm -233.10797236703257
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deepks_f_label 57.6276199532159
8-
deepks_s_label 106.76696458656761
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odelta -0.0018605740128407877
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oprec -0.7420199384023138
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totaltimeref 23.71
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totaldes 12.208233
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deepks_e_dm -233.1079723669145
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deepks_f_label 57.62761995350644
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deepks_s_label 106.76696458677478
9+
odelta -0.001860574012843015
10+
oprec -0.7420199384115197
11+
totaltimeref 23.80

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