- 07 Sep, 2018 10 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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Gustav Bihlmayer authored
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Gustav Bihlmayer authored
specify -DCPP_OLDINTEL to deactivate parts of the code that did not compile; mainly the order of USE statements was changed or ONLY was added to avoid confusion of the compiler.
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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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Daniel Wortmann authored
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 06 Sep, 2018 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 05 Sep, 2018 5 commits
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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Daniel Wortmann authored
Removed dimension%nn3d and dimension%nn2d variable and replaced them with the actual dimensions kimax+1,kimax2+1
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- 04 Sep, 2018 9 commits
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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Matthias Redies authored
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Daniel Wortmann authored
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Gregor Michalicek authored
1. I had to introduce a temporary version of hmat due to issues related to reading values that were already modified. 2. The input hmat had to be complex conjugated. The changes were made to match the calculations of the old reference version.
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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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- 03 Sep, 2018 3 commits
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Gregor Michalicek authored
...it is also increased in hybrid/hybrid.F90.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 31 Aug, 2018 1 commit
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Gregor Michalicek authored
- Only half of the overlap matrix was set. - invtrafo was missing a complex conjugation.
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- 30 Aug, 2018 4 commits
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Gregor Michalicek authored
The requirement for these changes became obvious by a totalview comparison with the old reference version. The values that are in the arrays match the old version with very high precision.
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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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- 29 Aug, 2018 2 commits
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Matthias Redies authored
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Gregor Michalicek authored
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- 28 Aug, 2018 4 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
Bugfixes for forces in spin-polarized case. Perhaps :-) closer to v26 now? Have to check this... #197
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Matthias Redies authored
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Matthias Redies authored
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