- 28 May, 2020 5 commits
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
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Frank Freimuth authored
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- 27 Jan, 2020 2 commits
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Vasily Tseplyaev authored
This reverts commit f5fe58e8.
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Vasily Tseplyaev authored
The error message also prints out labels of overlapped atoms (one of the labels) and the overlapping value. The error message makes AiiDA-FLEUR to conviniently parse this info and automatically adjust MT radii for another try of relaxation.
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- 12 Dec, 2019 1 commit
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Daniel Wortmann authored
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- 30 Sep, 2019 1 commit
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Robin Hilgers authored
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- 23 Sep, 2019 1 commit
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Robin Hilgers authored
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- 27 May, 2019 1 commit
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Daniel Wortmann authored
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- 30 Nov, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
The problem was in stage 1 of the test. Not in the fleur code.
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Gregor Michalicek authored
CwannXML test still does not work. But the results are very near to the target.
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- 29 Nov, 2017 1 commit
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Gregor Michalicek authored
...still buggy and very incomplete. The new test does not pass yet but it might already work.
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