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sphinx @ master

Name Size Revision Age Author Comment
  packaging b4f31e5a 3 months Christoph Freysoldt docu for creating repo-md metadata for rpms
  src f1ddf89d 5 days Christoph Freysoldt changed LICENSE; simplified installation instru...
  testbed 12c44cb0 9 days Christoph Freysoldt update some thresholds and ignore late columns ...
.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 about 7 years Sixten Boeck corrected the preveously corrected email addres...
INSTALL 2.39 KB f1ddf89d 5 days Christoph Freysoldt changed LICENSE; simplified installation instru...
LICENSE 9.9 KB f1ddf89d 5 days Christoph Freysoldt changed LICENSE; simplified installation instru...
Makefile.am 693 Bytes f1ddf89d 5 days Christoph Freysoldt changed LICENSE; simplified installation instru...
NOTICE 506 Bytes f1ddf89d 5 days Christoph Freysoldt changed LICENSE; simplified installation instru...
configure.ac 842 Bytes 554ca048 3 months Christoph Freysoldt new version 2.6
setup 123 Bytes 9e5e3636 5 days Christoph Freysoldt simplified setup script
sxaccelerate 0 Bytes 560915b7 10 days Christoph Freysoldt fix in sxaccelerate
sxmake 2.52 KB 5105cf20 over 7 years Christoph Freysoldt better sxmake: --report-only and better sorting...

Latest revisions

# Date Author Comment
f1ddf89d 08/20/2019 07:33 PM Christoph Freysoldt

changed LICENSE; simplified installation instructions

9e5e3636 08/20/2019 04:37 PM Christoph Freysoldt

simplified setup script

d4f47269 08/20/2019 11:20 AM Christoph Freysoldt

include playground directory and Makefile.am in distribution, but remove all code. Changed COND_PLAYGROUND test to look for cpp files. This is necessary to make autoreconf work in the distributed version

12c44cb0 08/16/2019 05:05 PM Christoph Freysoldt

update some thresholds and ignore late columns in some eps tests

7febbee2 08/16/2019 05:03 PM Christoph Freysoldt

update several eps.dat files which differ in unoccupied states (due to changes in initialization, probably)

408ddafa 08/16/2019 03:22 PM Christoph Freysoldt

fix Vasp for H case: there are potentials where local pot is not from the l-channels listed in the PSCTR section

ed932269 08/16/2019 03:09 PM Christoph Freysoldt

1. print smearing scheme in log file 2. fix low occupation tests to use absolute value (Methfessel-Paxton occupations can be negative)

9e76a2d4 08/15/2019 07:38 PM Christoph Freysoldt

modified VASP reader: no longer try to interpret TYPE parameter in the Description of PSCTR section, just read the number of l-channels in the description and assume that one of them is for the local potential; then read the l-values for the partials from the 'Non local Part' section

560915b7 08/15/2019 07:31 PM Christoph Freysoldt

fix in sxaccelerate

a5c2a472 08/15/2019 05:41 PM Christoph Freysoldt

fix compiler error in SX_CHECK macro

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