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  • BdG
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Created with Raphaël 2.2.08Feb331Jan252110Dec62128Nov171615108543128Oct27262522211918141187654330Sep2823109818Aug10954321Jul121128May251811765428Apr26211914128129Mar261715121110943226Feb2523221931Jan27262521201918151318Dec1711843130Nov27261817161312109654330Oct28272322212098762128Sep22211124Aug18764331Jul30292422212017161413876230Jun292523221815430May2726252098652130Apr292827242387631Mar2619910Feb16Jan13Dec1211109621Nov13128765424Oct23222118161510916Sep430Aug28272322191413729Jul2128Jun2719181713127654329May282724232221201715Add write_all_denlm option to write out all den_lm_ir fileswrite den_lm_ns files for all atoms and minor improvementsAdd <soc_no_spinflip> test optionMinor change to testsActivate BdG tests on KKRimp branchesAdd KKRimp tests for BdG DOSBugfix kkrflex_tmst writeoutFirst version of density writeout for denvis toolFixing notation of nonco bfields.Fixing a critical bug for constraint magnetism.Compute non-spherical anomalous density matrixKKRimp: added option to switch back to old rllsllKKRhost: added option to switch back to old rllsllActivate use_gmat_unity and calc_onsite_only options in KKRhost andAdd write_double_precision run option for KKRhost and read_doubleprecision testflag for kkrimp to use doble precision kkrflex_green files instead of single precision filesChange default NPAN_LOGPANELFAC for impurity code to behave as host codeChanged definition of torque (by a factor of the magnetic moment size).Add some test options and refactor KKRimp/preconditioning.F90Information on the convergence of the constraint fields.Remove unnecessary rll and sll array dimension (was always 1) and addMerge branch 'KKRIMP-BdG-test-Philipp' into HEADUndo previous commitImpurity code changes for BdG implementation (in progress)Fix MPI_REDUCE for DEN and DENLM with BdGMerge branch 'BdG' into KKRIMP-BdG-test-PhilippMerge branch 'BdG' into KKRIMP-BdG-test-Philippchanges by DavidInformation on convergence of constraint angles only over angles that really are constraint.MPI bugfix for Lloyd + more ranks than energy pointsCorrected sign for negative magnetic moments in output of angle changes.Calculate and write some information to see if the constraint fields converge.Added a consistency check for the input parameters.Fix torque based constraints for negative moments.Merge fix in output with new functionality to control the mixing of constraint fields.Added the mean xc bfield as a scale for updating the constraint fields.Writing out 'degrees' instead of using degree sign for output of bfields.Introduced an input parameter for the mixing strength used to convergeOutput the external magnetic field angles in degrees, not radians.Output on torque.Split old subroutine into calculation of torques and scf cycle for constraint fields.
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