lmp: do not write model deviation if the same step written previously #2936
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Fix deepmodeling#1311. deepmodeling#1311 is not clearly described. I check the LAMMPS source code and think the following line is the most close to the description: https://github.com/lammps/lammps/blob/f0801338f325e185e49a9b5b081455c7964de9d9/src/output.cpp#L260 Signed-off-by: Jinzhe Zeng <[email protected]>
Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## devel #2936 +/- ##
==========================================
+ Coverage 72.47% 75.20% +2.72%
==========================================
Files 245 245
Lines 24687 24688 +1
Branches 1599 1599
==========================================
+ Hits 17893 18566 +673
+ Misses 5862 5186 -676
- Partials 932 936 +4
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Fix #1311.
#1311 was not clearly described. I checked the LAMMPS source code and think the following line is the closest to the description: https://github.com/lammps/lammps/blob/f0801338f325e185e49a9b5b081455c7964de9d9/src/output.cpp#L260