- 10 Feb, 2017 3 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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- 09 Feb, 2017 9 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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Gregor Michalicek authored
The temporary change to POINTER lead to the error: /usr/users/iff_th1/micha/FLEUR-git-repo/fleur/cdn/cdnval.F90(525): error #6547: The ARRAY argument of the ALLOCATED inquiry intrinsic function shall be an allocatable array. [Z_R] IF (.NOT.ALLOCATED(zMat%z_r)) THEN -------------------------------------^ /usr/users/iff_th1/micha/FLEUR-git-repo/fleur/cdn/cdnval.F90(540): error #6547: The ARRAY argument of the ALLOCATED inquiry intrinsic function shall be an allocatable array. [Z_C] IF (.NOT.ALLOCATED(zMat%z_c)) THEN -------------------------------------^ compilation aborted for /usr/users/iff_th1/micha/FLEUR-git-repo/fleur/cdn/cdnval.F90 (code 1)
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Daniel Wortmann authored
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Daniel Wortmann authored
eig-file/data IO is broken and hence the version is not useful yet.
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ssh://fleur-git/fleurDaniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
The problem was that in certain situations the origin was identified as a corner point of the IBZ while it actually was not. It is not a corner point if less than 3 faces of the IBZ feature this point.
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- 06 Feb, 2017 3 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gregor Michalicek authored
Also in this commit: Small syntax correction in mpi/mpi_bc_all.F90.
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- 03 Feb, 2017 3 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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- 02 Feb, 2017 1 commit
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Daniel Wortmann authored
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- 27 Jan, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: There is a change in this commit that may or may not fix or produce a bug that might be there or not: The rhc array in the subroutine signature of cored was missing the spin dimension that it has in cdngen. This is now corrected and the array is now correctly filled in cored. It is unclear if this changes the behavior of the code at some place. It might have an effect in cdnovlp as this array also goes there.
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- 26 Jan, 2017 5 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
in maschine.sh no modules are loaded and no env variables are set, this breaks in case cmake is called later from make. Instead machine specific config files are copied.
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Daniel Wortmann authored
apws has to be compiled without optimization on new intel compiler
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- 25 Jan, 2017 1 commit
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Gregor Michalicek authored
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- 24 Jan, 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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- 23 Jan, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
The numbering scheme of the old densities changed. It now represents the last two digits of the overall iteration. Not just of the iteration of the current run.
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- 20 Jan, 2017 2 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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- 19 Jan, 2017 3 commits
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Gregor Michalicek authored
The interface is by far not yet complete. Up to now the charge density I/O operations in main/vgen.F90 are wrapped.
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Daniel Wortmann authored
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Gregor Michalicek authored
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- 18 Jan, 2017 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
qpw_to_nmt. This variable should be added to xml-Schema!
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