Commits · 0d2d05c57392794a27d66eaee74e4cca660540c5 · Georgi Krastev / nomad-meta-info

29 Sep, 2016 5 commits
- Abinit: add metainfo concerning truncated input variables. · 0d2d05c5
  Micael Oliveira authored Sep 29, 2016
  
  0d2d05c5
- wien2k: converting units Ry -> J · 0a8c3d12
  Daria Tomecka authored Sep 29, 2016
  
  0a8c3d12
- Adding sections to meta info · a9cce07f
  Sebastian Alarcon Villaseca authored Sep 29, 2016
  
  a9cce07f
- wien2k: adding one lost prefix x_wien2k_ · 4177ffcb
  Daria Tomecka authored Sep 29, 2016
  
  4177ffcb
- mopac_parser -> mopac · e14fe32e
  Mohamed, Fawzi Roberto (fawzi) authored Sep 29, 2016
  
  e14fe32e
28 Sep, 2016 4 commits
- all: +gamess · d2e2abf0
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
  
  d2e2abf0
- all: + atk · 16ca1634
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
  
  16ca1634
- all: +asap · 96510531
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
  
  96510531
- fhi-aims: geo conv -> section run · a7ab439d
  Mohamed, Fawzi Roberto (fawzi) authored Sep 28, 2016
  
  a7ab439d
27 Sep, 2016 4 commits
- Turbomole: changed meta for eigenvalues, occupations, irrep · b8a04107
  Aliaksei Mazheika authored Sep 27, 2016
  
  b8a04107
- Turbomole: some data of section_scf_iteration were corrected · 9a3cb8b8
  Aliaksei Mazheika authored Sep 27, 2016
  
  9a3cb8b8
- inputs now in section_method · 7ecc31ba
  Ask Hjorth Larsen authored Sep 27, 2016
  
  7ecc31ba
- turbomole -> x_turbomole · edcd45dd
  Mohamed, Fawzi Roberto (fawzi) authored Sep 27, 2016
  
  edcd45dd
26 Sep, 2016 3 commits
- Turbomole: modified turbomole-meta regarding embedding scheme · 7dfde3b0
  Aliaksei Mazheika authored Sep 26, 2016
  
  7dfde3b0
- Fixed issue with duplicate name. · 7bb968a3
  Lauri Himanen authored Sep 26, 2016
  
  7bb968a3
- Added new section for XC information to NWChem. · 7ca32d0d
  Lauri Himanen authored Sep 26, 2016
  
  7ca32d0d
23 Sep, 2016 4 commits
- fleur: errata - section_XC · 9f33bd5b
  Daria Tomecka authored Sep 23, 2016
  
  9f33bd5b
- Turbomole: turbomole_geometry_optimization_converged added · 5c3fc2d7
  Aliaksei Mazheika authored Sep 23, 2016
  
  5c3fc2d7
- wien2k: errata - section_XC · 7631c904
  Daria Tomecka authored Sep 23, 2016
  
  7631c904
- fleur: update metainfo - k-points · ecba10ed
  Daria Tomecka authored Sep 23, 2016
  
  ecba10ed
22 Sep, 2016 10 commits
- added some shape=[] so it looks consistent · 1f58146b
  Mikkel Strange authored Sep 22, 2016
  
  1f58146b
- more x_gpaw · b4858248
  Mikkel Strange authored Sep 22, 2016
  
  b4858248
- spelling · 76f3a11a
  Mikkel Strange authored Sep 22, 2016
  
  76f3a11a
- x_gpaw stuff · feae9b63
  Mikkel Strange authored Sep 22, 2016
  
  feae9b63
- Add simple parser geometry optimization variables - try02 · db293092
  Alarcon Villaseca, Sebastian (sebas81) authored Sep 22, 2016
  
  db293092
- fhi_aims -> x_fhi_aims · 64128bc1
  Mohamed, Fawzi Roberto (fawzi) authored Sep 22, 2016
  
  64128bc1
- make shape explicit · 93d3a661
  Mohamed, Fawzi Roberto (fawzi) authored Jun 17, 2016
  
  93d3a661
- Abinit: added missing "repeats" keywords to some meta-data. · a210ab67
  micaeljtoliveira authored Sep 22, 2016
  
  a210ab67
- fleur: remove typo · 95903766
  Daria Tomecka authored Sep 22, 2016
  
  95903766
- fleur: update and remove duplicate metainfo · 5f0285e6
  Daria Tomecka authored Sep 22, 2016
  
  5f0285e6
21 Sep, 2016 1 commit
- fleur: insert missing metainfo · 8ddd2206
  Daria Tomecka authored Sep 22, 2016
  
  8ddd2206
20 Sep, 2016 2 commits
- Updated Abinit meta-info. · 43e4078c
  micaeljtoliveira authored Sep 20, 2016
  
  43e4078c
- Updated Abinit meta-info. · eb885ed2
  micaeljtoliveira authored Sep 18, 2016
  
  eb885ed2
19 Sep, 2016 4 commits
- Turbomole: added eigenvalues_values and eigenvalues_occupation · c9c9ffa7
  Aliaksei Mazheika authored Sep 19, 2016
  
  c9c9ffa7
- clean up some unused metadata and add lots of autogenerated siesta data · 4ac2a128
  Ask Hjorth Larsen authored Sep 16, 2016
  
  4ac2a128
- temp var for gulp pbc · 49ae6273
  Ask Hjorth Larsen authored Sep 16, 2016
  
  49ae6273
- Fixed issues with crystal metainfo. · a95faea0
  Lauri Himanen authored Sep 19, 2016
  
  a95faea0
16 Sep, 2016 2 commits
- fleur: adding missing meta-info: smearing_kind, smearing_width... · c1e50e09
  Daria Tomecka authored Sep 17, 2016
  
  c1e50e09
- atk · 2481d9fb
  Mikkel Strange authored Sep 16, 2016
  
  2481d9fb
15 Sep, 2016 1 commit
- fixing dos_fermi_energy · 2e3e0f0d
  Mohamed, Fawzi Roberto (fawzi) authored Sep 16, 2016
  
  2e3e0f0d