- 11 Jun, 2018 1 commit
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Gregor Michalicek authored
...only slightly tested.
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- 18 May, 2018 1 commit
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Gregor Michalicek authored
...unfortunately ifort12 ist still not happy.
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- 25 Apr, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 24 Apr, 2018 1 commit
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Daniel Wortmann authored
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- 12 Apr, 2018 1 commit
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Gregor Michalicek authored
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- 10 Apr, 2018 1 commit
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Gregor Michalicek 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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Gregor Michalicek authored
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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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- 28 Mar, 2018 1 commit
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Daniel Wortmann authored
DMI calculations.
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- 05 Mar, 2018 1 commit
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Gregor Michalicek authored
I had to compensate the newly present diagonal term in the td%tuu,... arrays in force/force_a21.F90.
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- 26 Feb, 2018 1 commit
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Daniel Wortmann authored
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- 20 Feb, 2018 1 commit
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Daniel Wortmann authored
a) Second spin for force a8 was wrong b) LO contribution to force_a21 was wrong
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- 15 Feb, 2018 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 24 Nov, 2017 1 commit
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Gregor Michalicek authored
...as suggested by Bernd + Stefan ...also in this commit: Some minor cleanup
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- 29 Sep, 2017 1 commit
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Gregor Michalicek authored
...also in this commit: Replace multiple definitions of lmaxb by a single constant lmaxU_const.
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- 26 Sep, 2017 1 commit
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Gregor Michalicek authored
...hope, it works.
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- 18 Sep, 2017 1 commit
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Daniel Wortmann authored
-removing of variable icorr, use of member-functions instead -removal of icorrkeys module -removal of hybridmix module -cleanup at several places
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- 24 Aug, 2017 1 commit
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Gregor Michalicek authored
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- 04 Aug, 2017 1 commit
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Daniel Wortmann authored
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- 24 Jul, 2017 1 commit
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Gregor Michalicek authored
This is the first step to enable the parallelization for parts of this code as it is provided by Uliana.
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- 18 Jul, 2017 1 commit
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Daniel Wortmann authored
Now fleur.F90 calls a subroutine that does most of the hybrid stuff. In eigen.F90 only the non-local potential is added to the Hamiltonian
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- 12 Jul, 2017 1 commit
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Gregor Michalicek authored
This is not yet tested.
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- 27 Jun, 2017 1 commit
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Daniel Wortmann authored
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- 03 May, 2017 2 commits
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Daniel Wortmann authored
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Daniel Wortmann authored
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- 13 Feb, 2017 1 commit
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Daniel Wortmann authored
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- 09 Feb, 2017 1 commit
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Daniel Wortmann authored
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- 27 Jan, 2017 1 commit
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Gregor Michalicek authored
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- 17 Jan, 2017 2 commits
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Gregor Michalicek authored
...it was broken after the last commit. Don't know if it can be trusted at the moment.
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Daniel Wortmann authored
removed: weight, natd, nkpts,nkptd
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- 14 Oct, 2016 1 commit
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Gregor Michalicek authored
The problem was due to a wrong mpi irank being passed to juDFT_end.
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- 11 Oct, 2016 1 commit
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Gregor Michalicek authored
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- 07 Oct, 2016 1 commit
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Daniel Wortmann authored
Removed preprocessor switches CPP_SOC, CPP_INVERSION, CPP_APW, CPP_CORE. Only a single fleur executable is built.
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- 26 Sep, 2016 1 commit
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Daniel Wortmann authored
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- 17 Aug, 2016 2 commits
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Gregor Michalicek authored
Not writing out the explicit version of the file could lead to problems, e.g., dependence on a non-existing sym.out file.
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Gregor Michalicek authored
The allocation was required for he call to r_inpXML
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- 21 Jul, 2016 1 commit
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Gregor Michalicek authored
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