Commits · 563eed997d9b585a9de5f303db4df529cfc5e150 · nomad-lab / nomad-meta-info · GitLab

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31 Jul, 2016 2 commits
- added new metainfo for reciprocal lattice vectors · 563eed99
  Pardini, Lorenzo (lopa) authored Jul 31, 2016
  
  563eed99
- parsing calculation mode from struct · 817ee440
  Daria Tomecka authored Jul 31, 2016
  
  817ee440
29 Jul, 2016 4 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · f8c8195b
  Martina Stella authored Jul 29, 2016
  
  f8c8195b
- some geom rearrang · 06a1af5f
  Martina Stella authored Jul 29, 2016
  
  06a1af5f
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · 1aad3814
  Adam Fekete authored Jul 29, 2016
  
  1aad3814
- updated version according to the new parser · 094eba0c
  Adam Fekete authored Jul 29, 2016
  
  094eba0c
28 Jul, 2016 3 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · 44985d35
  martina stella authored Jul 28, 2016
  
  44985d35
- bug · 6003a8e6
  martina stella authored Jul 28, 2016
  
  6003a8e6
- updated the names of metadata with x_ · c07d1686
  Pardini, Lorenzo (lopa) authored Jul 28, 2016
  
  c07d1686
27 Jul, 2016 10 commits
- wien2k: parsing atom positions from struct · 8d838fc1
  Daria Tomecka authored Jul 27, 2016
  
  8d838fc1
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · 85f17aa4
  Martina Stella authored Jul 27, 2016
  
  85f17aa4
- tddft · ce586dd8
  Martina Stella authored Jul 27, 2016
  
  ce586dd8
- Lot of MD related metas for CPMD. · f6b9163f
  Lauri Himanen authored Jul 27, 2016
  
  f6b9163f
- wien2k: struct parser start · e3f09216
  Daria Tomecka authored Jul 27, 2016
  
  e3f09216
- bug · 4cab2d15
  Martina Stella authored Jul 27, 2016
  
  4cab2d15
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/nomad-meta-info · a4456a20
  Martina Stella authored Jul 27, 2016
  
  a4456a20
- new sections for parameters · d8b91080
  Martina Stella authored Jul 27, 2016
  
  d8b91080
- adding number of atoms · 2e77a8b4
  Mohamed, Fawzi Roberto (fawzi) authored Jul 27, 2016
  
  2e77a8b4
- metaInfo: QE smearing and Fermi energy · e16ee235
  Henning Glawe authored Jul 27, 2016
  
  e16ee235
26 Jul, 2016 21 commits
- accumulator for 'old' sticks mesh info · cd282a39
  Henning Glawe authored Jul 26, 2016
  
  cd282a39
- QE accumulator for misc. warnings · 83b03327
  Henning Glawe authored Jul 26, 2016
  
  83b03327
- QE temporary for detecting CG diagonalization · 5e775922
  Henning Glawe authored Jul 26, 2016
  
  5e775922
- QE: add info from MPI version · 153ef703
  Henning Glawe authored Jul 26, 2016
  
  153ef703
- QE info field why stress is not implemented in certain cases · b833ff1c
  Henning Glawe authored Jul 26, 2016
  
  b833ff1c
- add flag for QE real-space treatment of core charge · c7c9c42f
  Henning Glawe authored Jul 26, 2016
  
  c7c9c42f
- add metaInfo for QE core charge checks · c37c1b28
  Henning Glawe authored Jul 26, 2016
  
  c37c1b28
- add QE PAW related metaInfo · 9e29453a
  Henning Glawe authored Jul 26, 2016
  
  9e29453a
- add metaInfo for QE smooth grid · 2e5c13db
  Henning Glawe authored Jul 26, 2016
  
  2e5c13db
- add metaInfo for QE supercell translation vector and flag · e05a53be
  Henning Glawe authored Jul 26, 2016
  
  e05a53be
- temporary storage for EXX fraction · ac7912e1
  Henning Glawe authored Jul 26, 2016
  
  ac7912e1
- wien2k: adding program version · 4e641120
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2016
  
  4e641120
- Few new MD metas for CPMD. · c501ad69
  Lauri Himanen authored Jul 26, 2016
  
  c501ad69
- QE: add metaInfo for manually specified band occupations · 63c40e64
  Henning Glawe authored Jul 26, 2016
  
  63c40e64
- QE info for lowest unoccupied · 13a32f57
  Henning Glawe authored Jul 26, 2016
  
  13a32f57
- add QE renomalized pseudo wfc info · d4e913e5
  Henning Glawe authored Jul 26, 2016
  
  d4e913e5
- more QE compile-time options · 341748ba
  Henning Glawe authored Jul 26, 2016
  
  341748ba
- QE metadata for fractional translations · f8d8e693
  Henning Glawe authored Jul 26, 2016
  
  f8d8e693
- adding wien2k meta info · f1d6e052
  Mohamed, Fawzi Roberto (fawzi) authored Jul 26, 2016
  
  f1d6e052
- Turbomole: G0W0 was implemented · 77af0072
  Aliaksei Mazheika authored Jul 26, 2016
  
  77af0072
- add metaInfo for total force · 585cb754
  Henning Glawe authored Jul 26, 2016
  
  585cb754