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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Sep 19, 2019
wanghan-iapcm
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* 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 <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Jinzhe Zeng <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Yongbin Zhuang <[email protected]>
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 <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Jinzhe Zeng <[email protected]> Co-authored-by: Han Wang <[email protected]> Co-authored-by: Yongbin Zhuang <[email protected]>
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