- 13 Sep, 2018 1 commit
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Daniel Wortmann authored
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- 12 Sep, 2018 5 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Matthias Redies authored
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- 11 Sep, 2018 4 commits
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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- 10 Sep, 2018 14 commits
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Gregor Michalicek authored
...I remembered that it produced compiler-dependent results.
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
This is done to make the determination of energy parameters more robust. It seems to break some tests. But this does not necessarily mean that it is wrong.
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Daniel Wortmann authored
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Daniel Wortmann authored
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Matthias Redies authored
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Matthias Redies authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 07 Sep, 2018 15 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
I fixed the issue by reducing a threshold in inpgen/bravais_symm.f. This leads to less symmetry operations that are found if the specified Bravais matrix is not precise enough. I hope this does not prevent the detection of symmetry operations that we clearly want to find. Otherwise we have to find a more sophisticated fix for the issue.
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Gregor Michalicek authored
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Daniel Wortmann authored
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Gustav Bihlmayer authored
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Gustav Bihlmayer authored
specify -DCPP_OLDINTEL to deactivate parts of the code that did not compile; mainly the order of USE statements was changed or ONLY was added to avoid confusion of the compiler.
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 06 Sep, 2018 1 commit
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Daniel Wortmann authored
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