Update Readme and provide test case with methane. #6
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amcadmus
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Jun 25, 2019
Update Readme and provide test case with methane.
amcadmus
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Jun 25, 2019
Update Readme and provide test case with methane.
amcadmus
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Jun 25, 2019
Update Readme and provide test case with methane.
amcadmus
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wanghan-iapcm
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Nov 25, 2021
* bump dpdata version to 0.2.4 * fix AssertionErrors in TestPostGaussian (#5) * fix bug issue:597 (#598) (#6) * fix bug issue:597 * fix energies mismatch bug for dpdata cp2k unittest * fix issue 597 Co-authored-by: Yongbin Zhuang <38876805+robinzyb@users.noreply.github.com> Co-authored-by: Han Wang <wang_han@iapcm.ac.cn> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: Han Wang <amcadmus@gmail.com> Co-authored-by: Yongbin Zhuang <38876805+robinzyb@users.noreply.github.com>
Cloudac7
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Dec 1, 2021
* bump dpdata version to 0.2.4 * fix AssertionErrors in TestPostGaussian (deepmodeling#5) * fix bug issue:597 (deepmodeling#598) (deepmodeling#6) * fix bug issue:597 * fix energies mismatch bug for dpdata cp2k unittest * fix issue 597 Co-authored-by: Yongbin Zhuang <38876805+robinzyb@users.noreply.github.com> Co-authored-by: Han Wang <wang_han@iapcm.ac.cn> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: Han Wang <amcadmus@gmail.com> Co-authored-by: Yongbin Zhuang <38876805+robinzyb@users.noreply.github.com>
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