- 23 May, 2018 1 commit
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Gregor Michalicek authored
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- 17 May, 2018 1 commit
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Gregor Michalicek authored
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- 07 May, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 24 Apr, 2018 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 23 Apr, 2018 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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- 20 Apr, 2018 1 commit
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Daniel Wortmann authored
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- 19 Apr, 2018 1 commit
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Gregor Michalicek authored
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- 12 Apr, 2018 1 commit
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Daniel Wortmann authored
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- 10 Apr, 2018 1 commit
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Daniel Wortmann authored
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- 04 Apr, 2018 1 commit
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Daniel Wortmann authored
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- 03 Apr, 2018 1 commit
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Daniel Wortmann authored
Removed jij data-type, added first implementation of further force-theorem modes, these lack tests&support in xml-shema
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- 29 Mar, 2018 2 commits
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Daniel Wortmann authored
Changed layout of types, added first implementation of forcetheorem-type for MAE (test still missing)
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Daniel Wortmann authored
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- 28 Mar, 2018 4 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Gregor Michalicek authored
...not fully tested yet.
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Gregor Michalicek authored
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- 27 Mar, 2018 2 commits
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Gregor Michalicek authored
...in optional/pldngen.f90 this has to be strongly polished.
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Gregor Michalicek authored
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- 26 Mar, 2018 2 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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- 23 Mar, 2018 1 commit
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Daniel Wortmann authored
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- 16 Mar, 2018 1 commit
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Gregor Michalicek authored
Note: This seems to have introduced some bugs. ...to be corrected soon.
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- 13 Mar, 2018 1 commit
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Gregor Michalicek authored
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- 07 Mar, 2018 1 commit
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Gregor Michalicek authored
The test failed because the unrotated input density was not kept for the mixer. I solved it by introducing an inDenRot variable that is a copy of inDen and then gets rotated in rhodirgen if that soubroutine is in the program flow. It is only used as an input to those subroutines that require the rotated input density or are insensitive to it.
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- 06 Mar, 2018 1 commit
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Daniel Wortmann authored
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- 02 Mar, 2018 1 commit
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Daniel Wortmann authored
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- 01 Mar, 2018 1 commit
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Gregor Michalicek authored
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- 27 Feb, 2018 1 commit
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Daniel Wortmann authored
Cleanup and bugfixes are required.
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- 29 Nov, 2017 1 commit
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Gregor Michalicek authored
...still buggy and very incomplete. The new test does not pass yet but it might already work.
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- 23 Nov, 2017 1 commit
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P.Buhl authored
fleur.F90 wannier call should put l_real=.false. also if l_soc is true; wannier.F allocations of zmat*%z_* should only be done one<- bug due to 110 spin loop
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- 13 Nov, 2017 1 commit
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Gregor Michalicek authored
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- 08 Nov, 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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- 06 Nov, 2017 1 commit
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Gregor Michalicek authored
Note: Also in this commit: 1. Changed test values in NiO_ldauXML test since now the broyden files get deleted when a new density matrix is generated 2. The NiO_ldau test should not work any more since linear mixing for the density matrix is removed for the old inp file. (It is not specified in the n_mmp_mat file any more)
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