Fixed an issue that the box of the cp2k-aimd trajectory under the NPT ensemble can not be read correctly#346
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wanghan-iapcm merged 2 commits intodeepmodeling:develfrom Aug 19, 2022
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Signed-off-by: kiwi <46419582+wankiwi@users.noreply.github.com>
Fixed an issue that the box of the cp2k-aimd trajectory under the NPT ensemble can not be read correctly
wanghan-iapcm
approved these changes
Aug 19, 2022
Codecov Report
@@ Coverage Diff @@
## devel #346 +/- ##
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Coverage 82.15% 82.15%
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Files 66 66
Lines 5784 5784
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Hits 4752 4752
Misses 1032 1032
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Before modification, only the box of frame 0 can be output.
After modification, the box of all frames can be output correctly.