- 06 Sep, 2018 1 commit
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Daniel Wortmann authored
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- 05 Sep, 2018 1 commit
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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 6 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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Daniel Wortmann authored
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Daniel Wortmann authored
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- 27 Aug, 2018 3 commits
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Gregor Michalicek authored
...it is not yet present.
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Gregor Michalicek authored
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Daniel Wortmann authored
Added a script to simplifly the generation of tests and modified the testing environment. Documentation still missing. Contributes to #190
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- 24 Aug, 2018 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 22 Aug, 2018 5 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Daniel Wortmann authored
Added explicit dimensions in calls to xcpot-routines to make code more stable. Fixed bug that should fix #191.
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Daniel Wortmann authored
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Daniel Wortmann authored
Bugfix in XC potential in MT spheres in cases with many atoms different jri and jspin=2. Should fix #193 @mhoff, please check.
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- 21 Aug, 2018 3 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Daniel Wortmann authored
Should fix #189. @zimmer please check!
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