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sphinx @ master

Name Size Revision Age Author Comment
  packaging b4f31e5a about 1 month Christoph Freysoldt docu for creating repo-md metadata for rpms
  src a5ec955f 13 days Christoph Freysoldt include PAW compensation charge in reference at...
  testbed 361d0497 6 months Christoph Freysoldt adapt HubbardMO test plots: electronic converge...
.gitignore 867 Bytes c2026e62 almost 3 years Christoph Freysoldt update gitignore
.gitmodules 87 Bytes 9d3c1113 over 3 years Christoph Freysoldt fix submodule sxaccelerate's url
AUTHORS 574 Bytes e20d0be6 almost 7 years Sixten Boeck corrected the preveously corrected email addres...
LICENSE 7.54 KB f17f15f0 almost 7 years Christoph Freysoldt license addition for binaries
Makefile.am 677 Bytes 4f8a8ca8 6 months Christoph Freysoldt simplify top-level configure
configure.ac 842 Bytes 554ca048 27 days Christoph Freysoldt new version 2.6
setup 692 Bytes 078d6612 almost 4 years Christoph Freysoldt merge gemmantics/devel branch
sxaccelerate 0 Bytes 73c851bf 25 days Christoph Freysoldt unclear concept 'nWorkers' has been removed fro...
sxmake 2.52 KB 5105cf20 over 7 years Christoph Freysoldt better sxmake: --report-only and better sorting...

Latest revisions

# Date Author Comment
a5ec955f 06/05/2019 04:20 PM Christoph Freysoldt

include PAW compensation charge in reference atomic density for Hirshfeld decomposition

a3d17b99 06/03/2019 03:50 PM Christoph Freysoldt

fix preconditioner global scaling for PAW

d809f7c3 05/29/2019 07:12 PM Christoph Freysoldt

fix scalar product for PAW correction densities

9c4a8165 05/29/2019 12:26 PM Christoph Freysoldt

bug fix (untested) for line filters: step filter must also be a line filter

c1302618 05/29/2019 12:26 PM Christoph Freysoldt

automatically disable force drift filter for charged systems with dipole correction

d521c59f 05/28/2019 03:32 PM Christoph Freysoldt

extraction commands for effective cutoffs

b4dedb84 05/24/2019 05:50 PM Christoph Freysoldt

bug fix: the input residue for non-spin PAW was modified; noticeable effect for linear-mixing step with filter

98bc5134 05/24/2019 05:46 PM Christoph Freysoldt

fix output for global G-basis cutoff

73c851bf 05/24/2019 12:27 PM Christoph Freysoldt

unclear concept 'nWorkers' has been removed from MPI hierarchy

554ca048 05/22/2019 04:09 PM Christoph Freysoldt

new version 2.6

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