- 09 Aug, 2017 4 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: The Wannier code is not yet connected to the main code
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Gregor Michalicek authored
It is needed for the Wannier code.
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Gregor Michalicek authored
This is needed for the Wannier code and for GW.
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- 08 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
...I now reached linker error phase.
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Gregor Michalicek authored
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- 07 Aug, 2017 4 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 04 Aug, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 03 Aug, 2017 6 commits
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Gregor Michalicek authored
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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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Gregor Michalicek authored
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Gregor Michalicek authored
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- 02 Aug, 2017 3 commits
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Gregor Michalicek authored
The problem was that some arrays had predefined sizes that were not adapted to the actual problem. I changed this for some arrays now but there are still some other arrays that may become a problem at some point, too.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 01 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 31 Jul, 2017 2 commits
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Gregor Michalicek authored
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Uliana Alekseeva authored
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- 30 Jul, 2017 1 commit
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Gregor Michalicek authored
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- 28 Jul, 2017 8 commits
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Gregor Michalicek authored
This broadcast was missing for the use of this variable in vgen/vmtxcg.F90, line 292
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Gregor Michalicek authored
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Gregor Michalicek authored
This might have caused an error in mpi parallel mode.
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Gregor Michalicek authored
This might have produced real bugs in mpi parallel mode.
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Gregor Michalicek authored
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Gregor Michalicek authored
At the moment this does not seem to be important as the final result of vgen seems to be originating from irank 0 only. However, valgrind complained that some jump in vgen->vmts->ingr (line 191) is undefined because an initialization is missing for all iranks != 0.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 27 Jul, 2017 2 commits
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Gregor Michalicek authored
This is activated by using the inpgen command line switch "-electronConfig"
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Gregor Michalicek authored
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- 26 Jul, 2017 2 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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