Commits · 13a8026acd60e9d4f9024edfe69cb9a2371b233d · kkr / jukkr · GitLab

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May 17, 2019
- prepare for a first GPU-accelerated version, make tfQMRgpu=yes · 13a8026a
  Paul Baumeister authored 5 years ago
  
  13a8026a
Jan 31, 2019
- unify regests, merge nonco test case into tests.py · 6201ef16
  Paul Baumeister authored 6 years ago
  
  6201ef16
Jan 29, 2019
- - corrected regtests for NOCO solver · f6185c5e
  Marcel Bornemann authored 6 years ago
  
  f6185c5e
- - adjusted regtests, so that they work with the adjusted parameters a_log and b_log · a766607c
  Marcel Bornemann authored 6 years ago
  
  - NOTE: ZnO regtests were deactivated because of problems with the atomic core solver (SHOULD BE FIXED!)
  a766607c
Jan 25, 2019
- -openmp option is called -qopenmp now · 2bfd8dd0
  Paul Baumeister authored 6 years ago
  
  2bfd8dd0
Jan 24, 2019
- - added some documentation on the NOCO/Bauer solver · 0358a5f5
  Marcel Bornemann authored 6 years ago
  
  0358a5f5
Nov 30, 2018
- - fixed problem with mesh parameters a_log and b_log · 6363dd07
  Marcel Bornemann authored 6 years ago
  
  6363dd07
Nov 29, 2018
- Merge branch 'dev2018' of https://svn.version.fz-juelich.de/KKRnano into dev2018 · 429bfc8d
  Marcel Bornemann authored 6 years ago
  
  429bfc8d
Nov 26, 2018
- - corrected treatment of parameters A and B of the logarithmic mesh · 31a2b4c4
  Marcel Bornemann authored 6 years ago
  
  31a2b4c4
Nov 19, 2018
- - added version of GCS extension proposal approved by SB · 777109ce
  Marcel Bornemann authored 6 years ago
  
  777109ce
Nov 16, 2018
- - deleted files that are not needed for GCS extension proposal · a95b5d0f
  Marcel Bornemann authored 6 years ago
  
  a95b5d0f
- - added GCS extension proposal · 0daf2062
  Marcel Bornemann authored 6 years ago
  
  0daf2062
Oct 23, 2018
- decativate macro for exporting input and reference output for the Poisson solver · 0c8c3eb2
  Paul Baumeister authored 6 years ago
  
  0c8c3eb2
Oct 22, 2018
- correct final typos · 4749c132
  Paul Baumeister authored 6 years ago
  
  4749c132
Oct 19, 2018
- typos, minor · 4e4ad460
  Paul Baumeister authored 6 years ago
  
  4e4ad460
- add image of 13.5k atoms amorphous CuZr · e6927bed
  Paul Baumeister authored 6 years ago
  
  e6927bed
- add example coordinate file for the domain decomposer tool · 54dfba80
  Paul Baumeister authored 6 years ago
  
  54dfba80
- add documentation for the domain decomposer tool, description of the problem · 939b82dc
  Paul Baumeister authored 6 years ago
  
  939b82dc
Oct 18, 2018
- add MIT license file and license headers to the most important .F90 modules · 650d8484
  Paul Baumeister authored 6 years ago
  
  650d8484
- Merge branch 'dev2018' of https://svn.version.fz-juelich.de/KKRnano into dev2018 · 4edbebbf
  Paul Baumeister authored 6 years ago
  
  4edbebbf
Oct 12, 2018
- document modules according to FORD style · b1b09880
  Paul Baumeister authored 6 years ago
  
  b1b09880
- clean up routine interfaces of the Voronoi-module · 5a6a1302
  Paul Baumeister authored 6 years ago
  
  5a6a1302
- introduce OUTPUT_CHARGE_AND_POTENTIAL_MOMENTS to export the input and... · d33ec7cd
  Paul Baumeister authored 6 years ago
  
  introduce OUTPUT_CHARGE_AND_POTENTIAL_MOMENTS to export the input and solutions of the in-built Poisson solver
  d33ec7cd
Oct 09, 2018
- - minor change in 'doc' · 31f52ddd
  Marcel Bornemann authored 6 years ago
  
  31f52ddd
Oct 08, 2018
- Merge branch 'dev2017' of https://svn.version.fz-juelich.de/KKRnano into dev2017 · b82ff58b
  Paul Baumeister authored 6 years ago
  
  b82ff58b
- Merge branch 'dev2018_document_Voronoi' into dev2018 · 87a2fc1b
  Paul Baumeister authored 6 years ago
  
  87a2fc1b
Sep 25, 2018
- - added signed CtP form for HLRS contribution · d0932d6f
  Marcel Bornemann authored 6 years ago
  
  d0932d6f
Sep 24, 2018
- - removed hidden files that were tracked by git in HLRS contribution · 76ec350e
  Marcel Bornemann authored 6 years ago
  
  76ec350e
- Merge branch 'dev2017' of https://svn.version.fz-juelich.de/KKRnano into dev2017 · a982152e
  Marcel Bornemann authored 6 years ago
  
  a982152e
- - added HLRS stuff (CTP form, added reference to my PhD thesis) · 558d20b7
  Marcel Bornemann authored 6 years ago
  
  558d20b7
Sep 20, 2018
- - fixed a problem with NOCO/SOC regest: different compiler versions gave... · 3169d25e
  Marcel Bornemann authored 6 years ago
  
  - fixed a problem with NOCO/SOC regest: different compiler versions gave different results depending on optimization - MnGe NOCO/SOC regtest now works fine with ifort 15.0.1 both with -O0 and -O2 optimization
  3169d25e
- document modules according to FORD style · cc66d971
  Paul Baumeister authored 6 years ago
  
  cc66d971
Sep 18, 2018
- Merge branch 'dev2017' of https://svn.version.fz-juelich.de/KKRnano into dev2017 · 4c5b1e1b
  Paul Baumeister authored 6 years ago
  
  4c5b1e1b
- clean up routine interfaces of the Voronoi-module · 0e0a9469
  Paul Baumeister authored 6 years ago
  
  0e0a9469
- - removed bibliography that was not needed from HLRS contribution · 6a0b1d84
  Marcel Bornemann authored 6 years ago
  
  6a0b1d84
- - submitted version of HLRS contribution added · bcad49d2
  Marcel Bornemann authored 6 years ago
  
  bcad49d2
Sep 17, 2018
- introduce OUTPUT_CHARGE_AND_POTENTIAL_MOMENTS to export the input and... · 7581f0ad
  Paul Baumeister authored 6 years ago
  
  introduce OUTPUT_CHARGE_AND_POTENTIAL_MOMENTS to export the input and solutions of the in-built Poisson solver
  7581f0ad
- Merge branch 'dev2017' of https://svn.version.fz-juelich.de/KKRnano into dev2017 · 684e1be4
  Paul Baumeister authored 6 years ago
  
  684e1be4
Sep 10, 2018
- - [HLRS] added new figure, added copyright remarks to captions · 57d9c2ce
  Marcel Bornemann authored 6 years ago
  
  57d9c2ce
Sep 06, 2018
- - ran aspell over HLRS contribution · 8dd75a4d
  Marcel Bornemann authored 6 years ago
  
  8dd75a4d