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Fix: reference of noncolin
1 parent cac8b15 commit e1e13fb

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3 files changed

+11
-11
lines changed

3 files changed

+11
-11
lines changed
Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
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etotref -6156.9375268152816716
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etotperatomref -3078.4687634076
3-
totalforceref 2.210980
4-
totalstressref 76010.262300
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totaltimeref 3.16
1+
etotref -6156.9375605490313319
2+
etotperatomref -3078.4687802745
3+
totalforceref 2.221910
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totalstressref 76009.326543
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totaltimeref 8.33
Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,4 @@
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etotref -6436.214785907474
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etotperatomref -3218.1073929537
1+
etotref -6436.214827785372
2+
etotperatomref -3218.1074138927
33
totalforceref 0.000004
4-
totaltimeref 9.89
4+
totaltimeref 10.16
Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
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etotref -6445.388690278916
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etotperatomref -3222.6943451395
1+
etotref -6445.388732745701
2+
etotperatomref -3222.6943663729
33
Compare_mulliken_pass 0
44
pointgroupref O_h
55
spacegroupref O_h
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nksibzref 1
7-
totaltimeref 12.798
7+
totaltimeref 13.14

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