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From 05/20/2019 to 06/18/2019

06/05/2019

04:20 PM Revision a5ec955f (sphinx): include PAW compensation charge in reference atomic density for Hirsh...
Christoph Freysoldt

06/03/2019

03:50 PM Revision a3d17b99 (sphinx): fix preconditioner global scaling for PAW
Christoph Freysoldt

05/29/2019

07:12 PM Revision d809f7c3 (sphinx): fix scalar product for PAW correction densities
Christoph Freysoldt
12:26 PM Revision c1302618 (sphinx): automatically disable force drift filter for charged systems with dip...
Christoph Freysoldt
12:26 PM Revision 9c4a8165 (sphinx): bug fix (untested) for line filters: step filter must also be a line ...
Christoph Freysoldt

05/28/2019

03:32 PM Revision d521c59f (sphinx): extraction commands for effective cutoffs
Christoph Freysoldt

05/24/2019

05:50 PM Revision b4dedb84 (sphinx): bug fix: the input residue for non-spin PAW was modified; noticeable ...
Christoph Freysoldt
05:46 PM Revision 98bc5134 (sphinx): fix output for global G-basis cutoff
Christoph Freysoldt
12:27 PM Revision 73c851bf (sphinx): unclear concept 'nWorkers' has been removed from MPI hierarchy
Christoph Freysoldt

05/22/2019

04:09 PM Revision 554ca048 (sphinx): new version 2.6
Christoph Freysoldt
03:23 PM Revision fed0da5e (sphinx): replace SX_CHECK_VAR* macros with SX_CHECK
Christoph Freysoldt

05/21/2019

06:04 PM Revision f0c27d89 (sphinx): have timer SearchDir 'search direction' include the projection to the...
Christoph Freysoldt
06:03 PM Revision 55d64e0e (sphinx): evalForces{} group to compute and save forces
Christoph Freysoldt

05/20/2019

10:01 AM Revision e5152a40 (sphinx): new openmp parallelization of xc in SxRadialAtom: ~20% faster for sin...
Christoph Freysoldt
10:01 AM Revision c314c89d (sphinx): make vector reference counter thread-safe
Christoph Freysoldt
 

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