- 13 Feb, 2018 1 commit
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Gregor Michalicek authored
...it was an error before.
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- 08 Feb, 2018 2 commits
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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- 06 Feb, 2018 2 commits
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Gregor Michalicek authored
This is done by replacing the parallelizationParameters XML element by a more sophisticated parallelSetup section in out.xml
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Gregor Michalicek authored
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- 26 Jan, 2018 1 commit
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Gregor Michalicek authored
Replace broyden2 by broyden agein until the problem with continuous restart are understood and solved
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- 19 Jan, 2018 1 commit
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Daniel Wortmann authored
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- 18 Jan, 2018 3 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
Added diagonalization switch that does not do any diagonalization but simple outputs the matrix for debugging...
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- 17 Jan, 2018 1 commit
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Gregor Michalicek authored
The continuous restartability still does not seem to work correctly.
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- 16 Jan, 2018 4 commits
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Gregor Michalicek authored
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Jens Bröder authored
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Gregor Michalicek authored
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Jens Bröder authored
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- 15 Jan, 2018 5 commits
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Daniel Wortmann authored
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Gregor Michalicek authored
The problem was due to several variables not being declared as private in an OpenMP loop. The bug was introduced in commit b065f991. Sorry for that! ;)
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Daniel Wortmann authored
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Daniel Wortmann authored
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Uliana Alekseeva authored
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- 12 Jan, 2018 1 commit
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Gregor Michalicek authored
This implies the reduction of required metric calls in the broyden code path from 4 to 2. This is now equivalent to the number of metric calls in the old broyden code path.
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- 11 Jan, 2018 1 commit
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Gregor Michalicek authored
This is not yet fully functional and not yet activated in the code. To activate it the broyden call in "mix" has to be replaced by a broyden2 call.
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- 09 Jan, 2018 1 commit
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Daniel Wortmann authored
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- 03 Jan, 2018 2 commits
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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- 22 Dec, 2017 1 commit
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Daniel Wortmann authored
Update .gitlab-ci.yml, Removed PGI-compiler as it currently can not compile FLEUR and I do not want to get an email about this every night
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- 13 Dec, 2017 3 commits
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Gregor Michalicek authored
The OpenMP SIMD instructions made problems on ifort 12 and ifort 15. We have to introduce a filter to exclude these compilers from respective code sections. The instructions were introduced in commit 97ef6a4d.
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Uliana Alekseeva authored
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Gregor Michalicek authored
The change was introduced in commit 5bf8da4d and this temporarily broke the result comparisons in the Bi2Te3 test. The Bi2Te3XML test was not affect since it uses an enpara file.
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- 12 Dec, 2017 1 commit
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Gregor Michalicek authored
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- 11 Dec, 2017 1 commit
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Gregor Michalicek authored
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- 05 Dec, 2017 4 commits
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Gregor Michalicek authored
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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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- 04 Dec, 2017 1 commit
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Gustav Bihlmayer authored
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- 30 Nov, 2017 4 commits
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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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Daniel Wortmann authored
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