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lines changed Original file line number Diff line number Diff line change @@ -2,7 +2,7 @@ etotref -6335.8830315768318542
22etotperatomref -3167.9415157884
33totalforceref 0.000000
44totalstressref 14362.951992
5- Compare_mulliken_pass 1
5+ Compare_mulliken_pass 0
66pointgroupref O_h
77spacegroupref O_h
88nksibzref 2
Original file line number Diff line number Diff line change 1- etotref -6438.744125919878
2- etotperatomref -3219.3720629599
1+ etotref -6270.25051288218
2+ etotperatomref -3135.1252564411
33pointgroupref O_h
44spacegroupref O_h
5- nksibzref 4
6- totaltimeref 10.25
5+ nksibzref 2
6+ totaltimeref 1.92
Original file line number Diff line number Diff line change 1313 - 1: assure the absolute difference of two float value is smaller than accuracy
1414 - Default is 1
1515
16- This script is used to compare whether two files are
17- same.
16+ This script is used to compare whether two files are the same.
1817If compared two strings are different OR the difference
19- of two float value is larger than accuracy, then the
20- comparing is failed .
18+ of two float value is larger than the accuracy threshold , then the
19+ comparing fails .
2120When the script is finished, then a followed bash command
22- :$? can be used to check if the comparing is passed , where
21+ :$? can be used to check if the comparing passes , where
23220 means passed and 1 means not passed.
2423'''
2524
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