Commits · 748673f1fcd370cb998178653b745e69da8b906c · nomad-lab / parser-abinit

01 Oct, 2020 1 commit
- DOS support: dos_integrated_values · 748673f1
  temok-mx authored Oct 01, 2020
  
  748673f1
27 Sep, 2020 1 commit
- DOS support: regex for x_abinit_unit_cell_volume · d41ff36d
  temok-mx authored Sep 27, 2020
  
  d41ff36d
22 Sep, 2020 1 commit
- DOS support · c83ad230
  temok-mx authored Sep 17, 2020
  
  c83ad230
11 Sep, 2020 1 commit
- Further update of README.md; mv metadata.yml -> metadata.yaml · 342f3918
  temok-mx authored Sep 11, 2020
  
  342f3918
10 Sep, 2020 1 commit
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · c6d502b2
  temok-mx authored Sep 10, 2020
  
  c6d502b2
20 Mar, 2020 1 commit
- Remove dependency on old metainfo. · fe980c53
  Markus Scheidgen authored Mar 20, 2020
  
  fe980c53
19 Mar, 2020 2 commits
- Fixed gitignore. · 233c5b08
  Markus Scheidgen authored Mar 19, 2020
  
  233c5b08
- Added metainfo python code. · dc168fb2
  Markus Scheidgen authored Mar 19, 2020
  
  dc168fb2
09 Mar, 2020 1 commit
- Fixed bad atom labels. · 142ba39f
  Markus Scheidgen authored Mar 09, 2020
  
  142ba39f
10 Sep, 2019 2 commits
- Solved merging conflict · 8e372699
  temok-mx authored Sep 10, 2019
  
  8e372699
- Fix extra numerical tag on atom species · 85a6f591
  temok-mx authored Sep 10, 2019
  
  85a6f591
03 May, 2019 1 commit
- Fixed issue in atom labels. · c83f5a88
  Daniel Speckhard authored May 03, 2019
  
  c83f5a88
29 Apr, 2019 1 commit
- merge migration branch. · df889f48
  Daniel Speckhard authored Apr 29, 2019
  
  df889f48
25 Mar, 2019 1 commit
- Fixed regex to catch floats. · 428877e7
  Daniel Speckhard authored Mar 25, 2019
  
  428877e7
19 Feb, 2019 1 commit
- Modified atom labels to save as a string not as a list. · 18f8ccde
  Daniel Speckhard authored Feb 19, 2019
  
  18f8ccde
13 Jul, 2018 2 commits
- Merge branch 'auto-license-info' into 'master' · af07f0bf
  Micael Oliveira authored Jul 13, 2018
```
Automatized changes to license and copyright information

See merge request nomad-lab/parser-abinit!2
```
  af07f0bf
- Added copyright statements and license. · 1192eed2
  Markus Scheidgen authored Jul 13, 2018
  
  1192eed2
17 May, 2018 1 commit
- Correct copyright holders for scala files. · 6292daba
  Micael Oliveira authored May 17, 2018
  
  6292daba
07 Mar, 2018 3 commits
- Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-abinit · 6f826fb2
  Micael Oliveira authored Mar 07, 2018
  
  6f826fb2
- Catching start of SCF cycle for phonon calculations. · 1c30f7c8
  Micael Oliveira authored Mar 07, 2018
  
  1c30f7c8
- Catching start of SCF cycle for phonon calculations. · 0773c435
  Micael Oliveira authored Mar 07, 2018
  
  0773c435
06 Mar, 2018 8 commits
- Merge branch 'license' into 'master' · 8b15a462
  Micael Oliveira authored Mar 06, 2018
```
License

Closes #1

See merge request nomad-lab/parser-abinit!1
```
  8b15a462
- Add license header to python files. · 2225c180
  Micael Oliveira authored Mar 06, 2018
  
  2225c180
- Add license file. · 5405e4b3
  Micael Oliveira authored Mar 06, 2018
  
  5405e4b3
- Improve regular expression to catch case were input vars are truncated. · 69cf6992
  Micael Oliveira authored Mar 06, 2018
  
  69cf6992
- Improve regular expression for ionmov. · f713a422
  Micael Oliveira authored Mar 06, 2018
  
  f713a422
- Improve matching of symmetries description. · 330dcf89
  Micael Oliveira authored Mar 06, 2018
  
  330dcf89
- Improve parsing of abinit variables. · 9a36b530
  Micael Oliveira authored Mar 06, 2018
  
  9a36b530
- More parsing coverage. · 508c1017
  micaeljtoliveira authored Oct 04, 2016 and Micael Oliveira committed Mar 06, 2018
  
  508c1017
25 Oct, 2017 1 commit
- license header for scala files · cf3c5668
  Mohamed, Fawzi Roberto (fawzi) authored Oct 26, 2017
  
  cf3c5668
15 Oct, 2017 1 commit
- Use space_group_3D_number only in normalizer · 05293901
  Mohamed, Fawzi Roberto (fawzi) authored Oct 16, 2017
  
  05293901
04 Oct, 2016 7 commits
- * geometry_optimization_threshold_force · eb29597e
  micaeljtoliveira authored Oct 04, 2016
```
* geometry_optimization_energy_change
```
  eb29597e
- Fixing wrong logic. · 014ef176
  micaeljtoliveira authored Oct 04, 2016
  
  014ef176
- Bug fix: In some circumstances abinit outputs the total energy twice per... · 265cb35a
  micaeljtoliveira authored Oct 04, 2016
```
Bug fix: In some circumstances abinit outputs the total energy twice per single configuration calculation, but the corresponding data should only emmited once.
```
  265cb35a
- * More parsing coverage. · f7a09ef2
  micaeljtoliveira authored Oct 04, 2016
```
* geometry_optimization_converged
```
  f7a09ef2
- geometry_optimization_method · 089eef2e
  micaeljtoliveira authored Oct 04, 2016
  
  089eef2e
- energy_reference_fermi should be an array. · dc6f488c
  micaeljtoliveira authored Oct 04, 2016
  
  dc6f488c
- Improving parser coverage. · 5b52d635
  micaeljtoliveira authored Oct 04, 2016
  
  5b52d635
03 Oct, 2016 2 commits
- Improving parsing coverage. · 4433fd88
  micaeljtoliveira authored Oct 03, 2016
  
  4433fd88
- Improved matching of end of dataset. · fd5e2229
  micaeljtoliveira authored Oct 03, 2016
  
  fd5e2229