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May 04, 2020
- Added more parsers to NOMAD · f4500614
  Markus Scheidgen authored 5 years ago
  
  f4500614
Jun 27, 2018
- add copyright/license headers to FPLO parser · a0d52b45
  Henning Glawe authored 7 years ago
  
  a0d52b45
Dec 04, 2017
- propagate total and fermi energies from last iteration · e087f98d
  Henning Glawe authored 7 years ago
  
  View commit e087f98d 2 tags
  
  e087f98d
- fix LDA+U detection · 0c067750
  Henning Glawe authored 7 years ago
  
  0c067750
- add matcher for energies in case of DFT+U · f84c9d49
  Henning Glawe authored 7 years ago
  
  f84c9d49
- fix XC settings for PBE · a93d07df
  Henning Glawe authored 7 years ago
  
  a93d07df
Nov 10, 2016
- integrate FploInputParser into main parser via adHoc wrapper · 2d56fb29
  Henning Glawe authored 8 years ago
  
  2d56fb29
- skip '-----...' delimiter before switching to adHoc input parser wrapper · f50eacd5
  Henning Glawe authored 8 years ago
  
  f50eacd5
Oct 26, 2016
- add lookup tables for DFT+U common projection/functional · 03db6956
  Henning Glawe authored 8 years ago
  
  03db6956
Oct 25, 2016
- migrate common DFT+U metaInfo to common dft_plus_u_ namespace · 72178cf6
  Henning Glawe authored 8 years ago
  
  72178cf6
Oct 19, 2016
- remove tmp dictionary · 8a9a1d8b
  Henning Glawe authored 8 years ago
  
  8a9a1d8b
- update section ref hashes in onOpen callbacks · c3681cc4
  Henning Glawe authored 8 years ago
  
  c3681cc4
- unified formatting of onOpen/onClose arguments · 88df8543
  Henning Glawe authored 8 years ago
  
  88df8543
- parse total energy from iteration · d24d9276
  Henning Glawe authored 8 years ago
  
  d24d9276
- parse Fermi energy from iteration · 90226482
  Henning Glawe authored 8 years ago
  
  90226482
Oct 18, 2016
- remove unused openSectionIdx · 2844e7bb
  Henning Glawe authored 8 years ago
  
  2844e7bb
- add top-level matcher for single_config_calc and set references to method/system · 12aa2f5c
  Henning Glawe authored 8 years ago
  
  12aa2f5c
- restructure run matcher to allow auto-closing system/method when single_config_calc is encountered · d45f9462
  Henning Glawe authored 8 years ago
  
  d45f9462
Oct 17, 2016
- emit restructured LDA+U metaInfo to backend · 0c1ff657
  Henning Glawe authored 8 years ago
  
  0c1ff657
Oct 15, 2016
- use 'subshell' instead of 'state', as U is applied per-l, not per-m · 0839d1ec
  Henning Glawe authored 8 years ago
  
  0839d1ec
- namespace dftPu for everything related to DFT+U · 18a96bd2
  Henning Glawe authored 8 years ago
  
  18a96bd2
- extract per-species/per-site DFT+U parameters to temporaries · a3ff7715
  Henning Glawe authored 8 years ago
  
  a3ff7715
Oct 14, 2016
- LSDA+U: match up to U table · d7174e99
  Henning Glawe authored 8 years ago
  
  d7174e99
- add LSDA+U table separators to coverageIgnore · 226a2d0a
  Henning Glawe authored 8 years ago
  
  226a2d0a
- parse LSDA+U projection/functional · fe9cd8c9
  Henning Glawe authored 8 years ago
  
  fe9cd8c9
- parse xc functionals · c87f4f45
  Henning Glawe authored 8 years ago
  
  c87f4f45
- extract relativity_method · 610de061
  Henning Glawe authored 8 years ago
  
  610de061
- parse x_fplo_structure_type into configuration_periodic_dimensions · 78dd36ee
  Henning Glawe authored 8 years ago
  
  78dd36ee
Oct 13, 2016
- parse/postprocess atom positions table · e868950b
  Henning Glawe authored 8 years ago
  
  e868950b
Oct 12, 2016
- end-anchor pattern · 1cc87127
  Henning Glawe authored 8 years ago
  
  View commits for tag 0.0.1 0.0.1
  
  1cc87127
- parse direct and reciprocal lattice vectors · 3ecd52dc
  Henning Glawe authored 8 years ago
  
  3ecd52dc
- register unit usrTpibbohr · 64d0906e
  Henning Glawe authored 8 years ago
  
  64d0906e
- remove qe comment · 7fb2e380
  Henning Glawe authored 8 years ago
  
  7fb2e380
- match start-of-echoed input and provide adHoc-stub for input parser · 07bff94a
  Henning Glawe authored 8 years ago
  
  07bff94a
- parse =.sym file input load and msgs · ae3c8a31
  Henning Glawe authored 8 years ago
  
  ae3c8a31
- add comment · a8976fd3
  Henning Glawe authored 8 years ago
  
  a8976fd3
- merge version/copyright to header generator · 61a4f84d
  Henning Glawe authored 8 years ago
  
  61a4f84d
- parse run hosts · 014159b0
  Henning Glawe authored 8 years ago
  
  014159b0
- parse run date · 609c234b
  Henning Glawe authored 8 years ago
  
  609c234b
- parse compile opts · 1c6b16ed
  Henning Glawe authored 8 years ago
  
  1c6b16ed