Fix test-warnings related to symmetry#3355
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dyzheng merged 2 commits intodeepmodeling:developfrom Dec 19, 2023
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Fix a call of structure symmetrization when symmetry is not analyzed
In Integrated tests pose warnings #3242 @Zhuxuegang2022 mentioned the warning of case
704_LJ_CRintroduced in Feature&Refactor: Structure symmetrization during relax #3247, it is because inESolver_LJthe symmetry does not be analyzed even if symmetry=1 is set in the INPUT file.So I changed the condition to call structure symmetrization only when there exist some symmetry operations, i.e.
nrotk>0.Change the reference value of some cases: the difference is just because the symmetrization is changed from real space into reciprocal space in Fix: symmetrize charge density in reciprocal space in any case #3081. The old values can be reproduced using real-space symmetrization in my local test.