Fix issue #517

[codecov[bot]]

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.17% :tada:

Comparison is base (47619b7) 82.77% compared to head (dc2621e) 82.95%. Report is 2 commits behind head on devel.

Additional details and impacted files

```diff @@ Coverage Diff @@ ## devel #520 +/- ## ========================================== + Coverage 82.77% 82.95% +0.17% ========================================== Files 71 73 +2 Lines 6428 6494 +66 ========================================== + Hits 5321 5387 +66 Misses 1107 1107 ``` | [Files Changed](https://app.codecov.io/gh/deepmodeling/dpdata/pull/520?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpdata/qe/traj.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/520?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3FlL3RyYWoucHk=) | `81.33% <100.00%> (+0.12%)` | :arrow_up: | ... and [2 files with indirect coverage changes](https://app.codecov.io/gh/deepmodeling/dpdata/pull/520/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling)

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[rashidrafeek]

I have tested this and it does fix the issue. Thanks for the fix.