- 12 Jan, 2021 1 commit
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Gregor Michalicek authored
Due to recently introduced "use mpi" statements also some naming conflicts have been introduced. It seems to be the case that some MPI libraries use the name "mpi_comm". I therefore replaced variables with that name in fleur by "fmpi_comm". I don't know whether I found every place where this problem is present. Please perform similar replacements if you find more places.
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- 11 Jan, 2021 1 commit
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Gregor Michalicek authored
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- 24 Aug, 2020 2 commits
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Frank Freimuth authored
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Frank Freimuth authored
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- 14 Apr, 2020 1 commit
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Gregor Michalicek 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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- 29 Jun, 2016 1 commit
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Gregor Michalicek authored
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- 26 Apr, 2016 1 commit
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Markus Betzinger authored
Based on v0.26 hybrid branch
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