- 02 Aug, 2016 3 commits
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Gregor Michalicek authored
Also slightly cleaned up test NiO_ldau.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 01 Aug, 2016 1 commit
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Gregor Michalicek authored
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- 29 Jul, 2016 1 commit
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Gregor Michalicek authored
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- 28 Jul, 2016 1 commit
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Gregor Michalicek authored
...still not functional.
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- 27 Jul, 2016 4 commits
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Gregor Michalicek authored
Note: This is not yet functional. Also the test Fe_bct_LOXML is not yet complete.
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Gregor Michalicek authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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- 26 Jul, 2016 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Tests added: CuBandXML, CuDOSXML. CuDOSXML does not yet pass.
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- 25 Jul, 2016 1 commit
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Gregor Michalicek authored
Note: The XML output is not yet tested with this test.
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- 22 Jul, 2016 11 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
The initialization was missing if no film calculation was performed. I don't know why this variable is needed in this case anyway. Hope the fix always works.
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Gregor Michalicek authored
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Gregor Michalicek authored
Now all ctest tests work on my machine.
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Gregor Michalicek authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 21 Jul, 2016 1 commit
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Gregor Michalicek authored
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- 20 Jul, 2016 4 commits
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Gregor Michalicek authored
The problem only occured because stars%gamx is changed after it is initialized. I therefore introduced an additional variable gmaxInit in type t_stars.
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: There are still bugs in this part of the code.
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- 19 Jul, 2016 3 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
Changed behaviour of strho switch. It is now only controlling if FLEUR is stopping after generating a starting density.
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- 15 Jul, 2016 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
zherk tested to be faster than standard approach
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- 14 Jul, 2016 3 commits
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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- 13 Jul, 2016 3 commits
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Daniel Wortmann authored
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Uliana Alekseeva authored
Conflicts: juDFT/time.F90
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Uliana Alekseeva authored
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