Commits · 6c8c83c79c99a1e2d6d2565ba4f3753856a99320 · nomad-lab / nomad-meta-info

22 Dec, 2016 1 commit
- atom labels... · 6c8c83c7
  Pardini, Lorenzo (lopa) authored Dec 22, 2016
  
  6c8c83c7
21 Dec, 2016 2 commits
- fixed bug with muffin tin metadata · 64227a78
  Pardini, Lorenzo (lopa) authored Dec 21, 2016
  
  64227a78
- fixed the shape of the atom labels metatada · cc622e6e
  Pardini, Lorenzo (lopa) authored Dec 21, 2016
  
  cc622e6e
19 Dec, 2016 1 commit
- update meta info · 91e31423
  Gobre, Vivekanand (vigo) authored Dec 19, 2016
  
  91e31423
16 Dec, 2016 1 commit
- meta info for description · c99a30a9
  Gobre, Vivekanand (vigo) authored Dec 16, 2016
  
  c99a30a9
15 Dec, 2016 3 commits
- Added band_structure_kind, dos_kind, and reverted changes · 6184e0fe
  Hagen-Henrik Kowalski authored Dec 15, 2016
```
to calculation_method_kind
```
  6184e0fe
- Added reference phononic to calculation_method_kind also · cbba50bd
  Hagen-Henrik Kowalski authored Dec 15, 2016
```
extended description of section_k_band, band_energies, band_k_points,
band_segm_labels, section_dos, dos_values, and dos_energies to include
vibrational calculations
```
  cbba50bd
- update meta info · 682e2dcc
  Gobre, Vivekanand (vigo) authored Dec 15, 2016
  
  682e2dcc
13 Dec, 2016 1 commit
- update meta info · cfe8645e
  Gobre, Vivekanand (vigo) authored Dec 13, 2016
  
  cfe8645e
09 Dec, 2016 1 commit
- Fixed `atom_forces_*` descriptions · 36b28853
  Sommerregen authored Dec 09, 2016
  
  36b28853
07 Dec, 2016 4 commits
- update meta info "atomic_property_to_method_ref" · f0aae221
  Gobre, Vivekanand (vigo) authored Dec 07, 2016
  
  f0aae221
- Merge branch 'feature/metadata-descriptions' · 0c1e4696
  Sommerregen authored Dec 07, 2016
  
  0c1e4696
- Merge branch 'master' of https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info... · e6328068
  Sommerregen authored Dec 07, 2016
```
Merge branch 'master' of https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info into feature/metadata-descriptions
```
  e6328068
- Added corrected metadata descriptions A-M (revised by Chris and updated by Benny) · 5a03f523
  Sommerregen authored Dec 07, 2016
  
  5a03f523
02 Dec, 2016 1 commit
- Added metainfo file for BigDFT. · 773f50ee
  Lauri Himanen authored Dec 02, 2016
  
  773f50ee
29 Nov, 2016 4 commits
- fixing atomic_data and all · d6799b99
  Gobre, Vivekanand (vigo) authored Nov 29, 2016
  
  d6799b99
- meta update · 4026e08f
  Gobre, Vivekanand (vigo) authored Nov 26, 2016
  
  4026e08f
- Add section x_orca_section_functionals · 7e3d6b2c
  Alarcon Villaseca, Sebastian (sebas81) authored Nov 29, 2016
  
  7e3d6b2c
- Checking XC functional type · 3207ff95
  Alarcon Villaseca, Sebastian (sebas81) authored Nov 29, 2016
  
  3207ff95
25 Nov, 2016 2 commits
- atomic_properties -> atomic_data · d8daefe5
  Gobre, Vivekanand (vigo) authored Nov 25, 2016
  
  d8daefe5
- Add XC_functional_name to the metadata · 94af7a3b
  Alarcon Villaseca, Sebastian (sebas81) authored Nov 25, 2016
  
  94af7a3b
23 Nov, 2016 1 commit
- Corrected metadata descriptions (@Bryan) · 87fbb3ae
  Sommerregen authored Nov 23, 2016
  
  87fbb3ae
16 Nov, 2016 2 commits
- added x_elk_section_atoms_group · defeb5e6
  Pardini, Lorenzo (lopa) authored Nov 16, 2016
  
  defeb5e6
- Revised newly added metadata (thermodynamic properties) · df23f778
  Sommerregen authored Nov 16, 2016
  
  df23f778
15 Nov, 2016 1 commit
- Change meta info name for scf total energy · af5b3070
  Alarcon Villaseca, Sebastian (sebas81) authored Nov 15, 2016
  
  af5b3070
14 Nov, 2016 5 commits
- Pretty print · e58df884
  Sommerregen authored Nov 14, 2016
  
  e58df884
- Merge branch 'master' of https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info... · f5864a75
  Sommerregen authored Nov 14, 2016
```
Merge branch 'master' of https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info into feature/metadata-descriptions
```
  f5864a75
- Metadata overhaul (A - M) @Zhong-Kang · 9bbc41c0
  Sommerregen authored Nov 14, 2016
  
  9bbc41c0
- Fixed broken link · 4602d744
  Sommerregen authored Nov 14, 2016
  
  4602d744
- FPLO: fix typo in autogenerated metainfo · 1e2c8815
  Henning Glawe authored Nov 11, 2016
  
  1e2c8815
11 Nov, 2016 3 commits
- fixes, geo opt cycle · 7d64e935
  Alarcon Villaseca, Sebastian (sebas81) authored Nov 11, 2016
  
  7d64e935
- Added meta info sampling_method_expansion_order and changed superNames of · c0d2d4ad
  Hagen-Henrik Kowalski authored Nov 11, 2016
```
section_thermodynamical_properties to section_frame_sequence
```
  c0d2d4ad
- Check typo for energy_total · 18025f16
  Alarcon Villaseca, Sebastian (sebas81) authored Nov 11, 2016
  
  18025f16
10 Nov, 2016 4 commits
- thermal_properties changed to thermodynamical_properties · 429709dc
  Hagen-Henrik Kowalski authored Nov 10, 2016
  
  429709dc
- first stab at adding thermal properties to the public part · 85b95f5f
  Mohamed, Fawzi Roberto (fawzi) authored Nov 10, 2016
  
  85b95f5f
- message · a3e20aac
  Hagen-Henrik Kowalski authored Nov 10, 2016
  
  a3e20aac
- message · b4e6dc47
  Hagen-Henrik Kowalski authored Nov 10, 2016
  
  b4e6dc47
09 Nov, 2016 2 commits
- add dependency on autogenerated input metainfo to fplo · 306a3f9a
  Henning Glawe authored Nov 09, 2016
  
  306a3f9a
- add autogenerated fplo input metainfo · a0c9ea1f
  Henning Glawe authored Nov 09, 2016
  
  a0c9ea1f
06 Nov, 2016 1 commit
- wien2k: update · 5031977e
  Daria Tomecka authored Nov 06, 2016
  
  5031977e