Commits · master · nomad-lab / parser-abinit

03 Feb, 2021 1 commit
- Fix issue #492 · 52ac697c
  Alvin Noe Ladines authored Feb 04, 2021
  
  52ac697c
25 Jan, 2021 1 commit
- Removed parser interface · 4ee689db
  Alvin Noe Ladines authored Jan 25, 2021
  
  4ee689db
22 Jan, 2021 1 commit
- Fix reusing of parser (issue #485) · 7856516b
  Alvin Noe Ladines authored Jan 22, 2021
  
  7856516b
08 Jan, 2021 1 commit
- New parser based on textparser · e2c97b91
  Alvin Noe Ladines authored Jan 08, 2021
  
  e2c97b91
11 Nov, 2020 1 commit
- Added parsing for _DOS files · 2b284883
  temok-mx authored Nov 11, 2020
  
  2b284883
06 Nov, 2020 1 commit
- Added parsing for _EIG files · 4b5bb335
  temok-mx authored Nov 06, 2020
  
  4b5bb335
29 Oct, 2020 1 commit
- Added subparsing for datasets · ba2cfd31
  temok-mx authored Oct 29, 2020
  
  ba2cfd31
22 Oct, 2020 2 commits
- Added forces · cda3bdd1
  temok-mx authored Oct 22, 2020
  
  cda3bdd1
- Added subparsing · feb60a4c
  temok-mx authored Oct 22, 2020
  
  feb60a4c
21 Oct, 2020 1 commit
- Outline for new parser · 534cdd12
  temok-mx authored Oct 21, 2020
  
  534cdd12
19 Oct, 2020 1 commit
- parse_EIG_file() is now a class method · 892728ec
  temok-mx authored Oct 19, 2020
  
  892728ec
15 Oct, 2020 1 commit
- bands: handle of occ for iscf=-2 · 10c9acfa
  temok-mx authored Oct 15, 2020
  
  10c9acfa
14 Oct, 2020 1 commit
- section_eigenvalues support · dfc6de54
  temok-mx authored Oct 14, 2020
  
  dfc6de54
09 Oct, 2020 1 commit
- EIG file: new text parser · 4e46b1ff
  temok-mx authored Oct 09, 2020
  
  4e46b1ff
04 Oct, 2020 1 commit
- PEP8, fixed all indentations to 4 spaces. Fixed logging bug in DOS file finder · 74651abd
  temok-mx authored Oct 04, 2020
  
  74651abd
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 4 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