Fix bug of single precision transfer#1111
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amcadmus merged 1 commit intodeepmodeling:develfrom Sep 7, 2021
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@@ Coverage Diff @@
## devel #1111 +/- ##
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- Coverage 75.62% 74.37% -1.26%
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Files 88 88
Lines 7012 6996 -16
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- Hits 5303 5203 -100
- Misses 1709 1793 +84
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njzjz
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amcadmus
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Sep 7, 2021
njzjz
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Sep 21, 2023
When turning on the merge_traj function, if the procedure is interrupted in the run_model_devi stage, the old trajectory file will be overwritten after it is rerun. The incomplete trajectory file will cause the following error in the next post_model_devi stage: `.../site-packages/dpdata/lammps/dump.py:176: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. system['coords'] = np.array(system['coords']) DeepModeling ` This PR repaired this question. --------- Signed-off-by: kiwi <46419582+wankiwi@users.noreply.github.com> Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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The same problem as #1110.