- 05 Apr, 2019 1 commit
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Daniel Wortmann authored
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- 27 Feb, 2019 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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- 08 Nov, 2018 1 commit
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Gregor Michalicek authored
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- 06 Nov, 2018 1 commit
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Daniel Wortmann authored
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- 20 Sep, 2018 1 commit
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Daniel Wortmann authored
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- 18 Jul, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
don't store the output density anymore. I now read it from the last input density. ...this may be slightly inconsistent but in the case of self convergence it should be irrelevant.
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- 03 Jul, 2018 1 commit
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Gregor Michalicek authored
...it is used with the command line option -last_extra.
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- 12 Jun, 2018 1 commit
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Daniel Wortmann authored
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- 26 Apr, 2018 1 commit
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Gregor Michalicek authored
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- 28 Mar, 2018 1 commit
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Gregor Michalicek authored
...not fully tested yet.
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- 16 Mar, 2018 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: This seems to have introduced some bugs. ...to be corrected soon.
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- 30 Nov, 2017 1 commit
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Gregor Michalicek authored
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- 10 Nov, 2017 1 commit
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Gregor Michalicek authored
...this surely is not yet the final version.
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- 08 Nov, 2017 1 commit
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Gregor Michalicek authored
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- 06 Nov, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
...there was a missing initialization if no cdn.hdf file was used.
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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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- 27 Oct, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: Two changes have been done in global/types.F90: 1. MERGE(jsp,4,l_noco) -> MERGE(4,jsp,l_noco) (I think the new code is correcter. This change is required) 2. Some dimension variable was replaced by stars%ng2. (Maybe this is not required and maybe the previous variable was more correct.)
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- 26 Oct, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 20 Oct, 2017 1 commit
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Gregor Michalicek authored
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- 10 Oct, 2017 1 commit
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Daniel Wortmann authored
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- 04 Oct, 2017 1 commit
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Gregor Michalicek authored
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- 27 Jun, 2017 1 commit
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Daniel Wortmann authored
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- 26 Jun, 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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- 17 May, 2017 1 commit
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Gregor Michalicek authored
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- 03 May, 2017 1 commit
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Daniel Wortmann authored
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- 27 Apr, 2017 1 commit
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Gregor Michalicek authored
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- 26 Apr, 2017 1 commit
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Gregor Michalicek authored
It can be deactivated by using the command line switch -no_cdn_hdf
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- 25 Apr, 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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