Commits · 58ab57a961e03f118f2c89b10a739754a6969a6a · nomad-lab / nomad-meta-info

18 Apr, 2016 2 commits
- Polishing of the names · b1bbacb3
  Luca authored Apr 18, 2016
  
  b1bbacb3
- fixing typo, moving geometry-optimization-method wiki in metainfo dir · ae66586f
  Mohamed, Fawzi Roberto (fawzi) authored Apr 18, 2016
  
  ae66586f
17 Apr, 2016 2 commits
- Inlcuded changes of Chris and Pasquale · 8287bff4
  Luca authored Apr 17, 2016
  
  8287bff4
- New polishing, including Bryan's notes · bcbb3052
  Luca authored Apr 17, 2016
  
  bcbb3052
15 Apr, 2016 4 commits
- Cosmetic changes · 3e6ac444
  Luca authored Apr 15, 2016
  
  3e6ac444
- Normalized public json · 269cf806
  Luca authored Apr 15, 2016
  
  269cf806
- A further improvement to descriptions, mainly basis-set related · 93f4d80a
  Luca authored Apr 15, 2016
  
  93f4d80a
- Further changes in the descriptions · e04220f2
  Luca authored Apr 15, 2016
  
  e04220f2
14 Apr, 2016 5 commits
- Polished version, after normalization · 4e4c298e
  Luca authored Apr 15, 2016
  
  4e4c298e
- Several changes to Descrtptions and some names · 2b92b274
  Luca authored Apr 14, 2016
  
  2b92b274
- common->Public · 7ee4487b
  Luca authored Apr 14, 2016
  
  7ee4487b
- split common in public and common · cfe10fcc
  Mohamed, Fawzi Roberto (fawzi) authored Apr 14, 2016
  
  cfe10fcc
- Approved forces' definition · a9fbd7af
  Luca authored Apr 14, 2016
  
  a9fbd7af
13 Apr, 2016 3 commits
- Corrected atom_forces_raw description · b6343b64
  Luca authored Apr 13, 2016
  
  b6343b64
- Added full stops at the end of the descriptions, mainly. · 0aa11fe6
  Luca authored Apr 13, 2016
  
  0aa11fe6
- updating vasp meta info · c7cd3e22
  Mohamed, Fawzi Roberto (fawzi) authored Apr 13, 2016
  
  c7cd3e22
12 Apr, 2016 1 commit
- Update common metaInfo send by Luca · fa43364b
  ankit kariryaa authored Apr 12, 2016
  
  fa43364b
01 Apr, 2016 1 commit
- Meta data necessary for the perturbative GW parsing are completed. · 4a08589b
  Chibani, Wael (wlc) authored Apr 01, 2016
  
  4a08589b
31 Mar, 2016 4 commits
- Relevant MetaInfo for the perturbative GW parsing · 220d2a3c
  Chibani, Wael (wlc) authored Mar 31, 2016
  
  220d2a3c
- add section_single_configuration_calculation in dmol3 · e5ddc212
  Honghui Shang authored Mar 31, 2016
  
  e5ddc212
- update · 7771f697
  Massimo Riello authored Mar 31, 2016
  
  7771f697
- dmol3: integrate dmol3 · 95569520
  Mohamed, Fawzi Roberto (fawzi) authored Mar 31, 2016
  
  95569520
30 Mar, 2016 1 commit
- OUPUT is done for dmol3 · e9a6d993
  Honghui Shang authored Mar 30, 2016
  
  e9a6d993
29 Mar, 2016 2 commits
- common: adding program_basis_set_type · 0cef12e8
  Mohamed, Fawzi Roberto (fawzi) authored Mar 29, 2016
  
  0cef12e8
- add INPUT part for dmol3 · 1f9c264f
  Honghui Shang authored Mar 29, 2016
  
  1f9c264f
24 Mar, 2016 1 commit
- adding dmol3 meta info · 0cb8f10f
  Mohamed, Fawzi Roberto (fawzi) authored Mar 24, 2016
  
  0cb8f10f
21 Mar, 2016 1 commit
- fix urls to wiki (moved to project wiki) · 46181dd2
  Mohamed, Fawzi Roberto (fawzi) authored Mar 21, 2016
  
  46181dd2
18 Mar, 2016 1 commit
- moved "atom_to_molecule" to "section_topology" · b4c7ad6a
  Riello, Massimo (mriello) authored Mar 18, 2016
  
  b4c7ad6a
16 Mar, 2016 1 commit
- Correction · 08af67e3
  Massimo Riello authored Mar 16, 2016
  
  08af67e3
15 Mar, 2016 2 commits
- Separate sections for element labels and geometry · bb1672d2
  Rosendo Valero Montero authored Mar 15, 2016
  
  bb1672d2
- updating metainfo · be7e84ef
  Martina Stella authored Mar 15, 2016
  
  be7e84ef
14 Mar, 2016 3 commits
- Added metainfo for filenames. · 54e8687c
  Lauri Himanen authored Mar 14, 2016
  
  54e8687c
- Misc. changes. · 54b225da
  Lauri Himanen authored Feb 13, 2016
  
  54b225da
- Meta data for the self-consistent GW parsing · aee3e8d9
  Chibani, Wael (wlc) authored Mar 14, 2016
  
  aee3e8d9
13 Mar, 2016 1 commit
- vasp specific meta info · a8d6f410
  Mohamed, Fawzi Roberto (fawzi) authored Mar 14, 2016
  
  a8d6f410
10 Mar, 2016 1 commit
- Meta data for the Tkatchenko-Scheffler van der Waals parsing · aaf17e64
  Chibani, Wael (wlc) authored Mar 10, 2016
  
  aaf17e64
07 Mar, 2016 1 commit
- modified metadata to enable element wise parsing of the basis functions · db4099c8
  Chibani, Wael (wlc) authored Mar 07, 2016
  
  db4099c8
04 Mar, 2016 1 commit
- adding metainfo related to calculation time · 1ff10137
  Martina Stella authored Mar 04, 2016
  
  1ff10137
29 Feb, 2016 1 commit
- castep: set correct shape for energy_total_scf_iteration_list · ba15c871
  Mohamed, Fawzi Roberto (fawzi) authored Feb 29, 2016
  
  ba15c871
26 Feb, 2016 1 commit
- common: set repeat = false for simulation_cell · 0aa90e35
  Franz Knuth authored Feb 26, 2016
  
  0aa90e35