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change the refernce value of result.ref in 8 CI test
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Zhuxuegang2022 committed Jan 8, 2024
1 parent efb7c9b commit 6fdd368
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Showing 8 changed files with 36 additions and 36 deletions.
10 changes: 5 additions & 5 deletions tests/integrate/101_PW_upf201_uspp_NaCl/result.ref
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
etotref -1675.0621003362039119
etotperatomref -837.5310501681
totalforceref 9.446120
totalstressref 1646.116655
etotref -1675.0621002454006430
etotperatomref -837.5310501227
totalforceref 9.449716
totalstressref 1646.203028
pointgroupref C_2v
spacegroupref C_2v
nksibzref 5
totaltimeref 1.36
totaltimeref 2.15
6 changes: 3 additions & 3 deletions tests/integrate/104_PW_NC_magnetic/result.ref
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
etotref -5866.197307043378
etotperatomref -2933.0986535217
etotref -5866.197119619808
etotperatomref -2933.0985598099
pointgroupref O_h
spacegroupref O_h
nksibzref 1
totaltimeref 2.23
totaltimeref 3.84
10 changes: 5 additions & 5 deletions tests/integrate/109_PW_CR_fix_a/result.ref
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
etotref -211.8207812299872046
etotperatomref -105.9103906150
totalforceref 0.046770
totalstressref 355.688831
totaltimeref +0.35611
etotref -211.8234658590238837
etotperatomref -105.9117329295
totalforceref 0.058886
totalstressref 348.169515
totaltimeref 1.23
10 changes: 5 additions & 5 deletions tests/integrate/109_PW_CR_fix_ac/result.ref
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
etotref -211.8190977198273686
etotperatomref -105.9095488599
totalforceref 0.066072
totalstressref 360.004787
totaltimeref 1.65
etotref -211.8218194443983293
etotperatomref -105.9109097222
totalforceref 0.083578
totalstressref 352.046235
totaltimeref 1.23
10 changes: 5 additions & 5 deletions tests/integrate/116_PW_scan_Si2_nspin2/result.ref
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
etotref -204.0730158607786393
etotperatomref -102.0365079304
totalforceref 16.660110
totalstressref 1357.594842
totaltimeref 2.39
etotref -204.0729983885538275
etotperatomref -102.0364991943
totalforceref 16.662104
totalstressref 1357.314273
totaltimeref 6.50
10 changes: 5 additions & 5 deletions tests/integrate/281_NO_KP_HSE/result.ref
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
etotref -205.1263805383024135
etotperatomref -102.5631902692
totalforceref 5.989680
totalstressref 4160.366135
totaltimeref +15.89641
etotref -205.1263805555018962
etotperatomref -102.5631902778
totalforceref 5.989656
totalstressref 4160.379251
totaltimeref 23.98
6 changes: 3 additions & 3 deletions tests/integrate/286_NO_KP_CR_HSE/result.ref
Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
etotref -192.6571494361762404
etotperatomref -96.3285747181
totaltimeref 20.45514
etotref -192.6570140381335250
etotperatomref -96.3285070191
totaltimeref 29.27
10 changes: 5 additions & 5 deletions tests/integrate/601_NO_TDDFT_CO/result.ref
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
etotref -602.8944089838617
etotperatomref -301.4472044919
totalforceref 14.656144
totalstressref 27.063003
totaltimeref +4.7188
etotref -602.8943864907039
etotperatomref -301.4471932454
totalforceref 14.656168
totalstressref 27.061883
totaltimeref 8.06

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