- 04 Feb, 2022 3 commits
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Daniel Wortmann authored
MaX-R6.0 See merge request fleur/fleur!190
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 03 Feb, 2022 1 commit
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Gregor Michalicek authored
This lead to sporadic runtime errors with certain compilers and certain structures. Perspectively this OMP loop would probably have to be reformulated to avoid the reduction mechanism and replace it by critical regions. It may also be related to subroutines that are called within the OMP loop.
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- 01 Feb, 2022 4 commits
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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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Henning Janssen authored
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- 31 Jan, 2022 11 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Henning Janssen authored
Remove ctests See merge request fleur/fleur!189
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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- 30 Jan, 2022 5 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
This reverts commit fc7c6e43
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 27 Jan, 2022 1 commit
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Gregor Michalicek authored
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- 26 Jan, 2022 6 commits
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
1. the run_tests.sh script did not forward the interrupt correctly through the tee command 2. The tests would throw an exception that is rather cryptic in most cases now it should only say Keyboardinterrupt Interrupted tests are moved to failed_test_results. This can help massively to identify the reason if a test is hanging
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
Also introduced another alias for xsd:string FortranComplex for complex number output. This way the output of the DFT+U density matrices can be kept the same (since it is very nice in the out.xml) and these cases can be handled in masci-tools
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- 25 Jan, 2022 4 commits
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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Henning Janssen authored
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- 21 Jan, 2022 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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Henning Janssen authored
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Henning Janssen authored
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