Commits · master · nomad-lab / parser-vasp

03 Mar, 2021 1 commit
- Fixed issue of atom labels not read from OUTCAR · b6b2b661
  Alvin Noe Ladines authored Mar 03, 2021
  
  b6b2b661
01 Mar, 2021 1 commit
- Fix issue #500 · ab933a73
  Alvin Noe Ladines authored Mar 01, 2021
  
  ab933a73
24 Feb, 2021 1 commit
- Fix issue #500 · f93c548d
  Alvin Noe Ladines authored Feb 24, 2021
  
  f93c548d
18 Feb, 2021 1 commit
- Fix issue#500 · 8d8f7e3a
  Alvin Noe Ladines authored Feb 18, 2021
  
  8d8f7e3a
16 Feb, 2021 1 commit
- Added error handling in reading dos, eigenvalues · 9c30e392
  Alvin Noe Ladines authored Feb 16, 2021
  
  9c30e392
12 Feb, 2021 1 commit
- Performance fix. · ac605067
  Markus Scheidgen authored Feb 12, 2021
  
  ac605067
10 Feb, 2021 1 commit
- Push mainfile and logger into xml calculation sub-parsers. · ebadcfa2
  Markus Scheidgen authored Feb 10, 2021
  
  ebadcfa2
01 Feb, 2021 1 commit
- Refactor and performance improvements · 08f41c99
  Alvin Noe Ladines authored Feb 01, 2021
  
  08f41c99
27 Jan, 2021 1 commit
- Introduced x_vasp_incar_in(out) · 11659f03
  Alvin Noe Ladines authored Jan 27, 2021
  
  11659f03
26 Jan, 2021 2 commits
- Fixed alternative mainfile matching. · 13718de5
  Markus Scheidgen authored Jan 26, 2021
  
  13718de5
- Removed parser interface · 62527612
  Alvin Noe Ladines authored Jan 26, 2021
  
  62527612
21 Jan, 2021 3 commits
- Fixed reusing of parser · 9fe20bf6
  Alvin Noe Ladines authored Jan 21, 2021
  
  9fe20bf6
- Fixed logger issue #483 · 30bc35da
  Alvin Noe Ladines authored Jan 21, 2021
  
  30bc35da
- Fixed issue #482 · 8cff2ff5
  Alvin Noe Ladines authored Jan 21, 2021
  
  8cff2ff5
20 Jan, 2021 1 commit
- Implemented new vasp parser · 38f453a0
  Alvin Noe Ladines authored Jan 20, 2021
  
  38f453a0
04 Dec, 2020 1 commit
- Removed test package from setup.py · 56eb84ff
  Markus Scheidgen authored Dec 04, 2020
  
  56eb84ff
14 Sep, 2020 1 commit
- Fixed use of non existing incar param. · 10973cb7
  Markus Scheidgen authored Sep 14, 2020
  
  10973cb7
11 Sep, 2020 1 commit
- Further update of README.md; mv metadata.yml -> metadata.yaml · 394b4503
  temok-mx authored Sep 11, 2020
  
  394b4503
10 Sep, 2020 1 commit
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 51fe10a2
  temok-mx authored Sep 10, 2020
  
  51fe10a2
19 Aug, 2020 1 commit
- Minor logging fixes. · bd9c04e2
  Markus Scheidgen authored Aug 19, 2020
  
  bd9c04e2
10 Aug, 2020 1 commit
- Fixed parsing of forces and stress · 0a9bb171
  Alvin Noe Ladines authored Aug 10, 2020
  
  0a9bb171
03 Aug, 2020 1 commit
- Make workflow information searchable. · 31e56cb7
  Markus Scheidgen authored Aug 03, 2020
  
  31e56cb7
30 Jul, 2020 1 commit
- Switched to FairdiParser with archive not backend. · 8c2e56b0
  Markus Scheidgen authored Jul 30, 2020
  
  8c2e56b0
28 Jul, 2020 1 commit
- Converted to use metainfo · 2c8b7763
  Alvin Noe Ladines authored Jul 28, 2020
  
  2c8b7763
14 Jul, 2020 1 commit
- Removed unnecessary fermi level for DOS. · 8776a0bc
  Lauri Himanen authored Jul 14, 2020
  
  8776a0bc
07 Jul, 2020 1 commit
- Removed the output of normalized dos energies. · 1a0c8cb0
  Lauri Himanen authored Jul 07, 2020
  
  1a0c8cb0
03 Jul, 2020 1 commit
- Fixed normalized dos. #366 #354 · c0f53540
  Markus Scheidgen authored Jul 03, 2020
  
  c0f53540
07 May, 2020 1 commit
- Fixed wrong type on x_vasp_selective_dynamics. · ba060d7c
  Markus Scheidgen authored May 07, 2020
  
  ba060d7c
28 Apr, 2020 1 commit
- Removed band path label detection. The BandStructureNormalizer has the same... · d42a5739
  Lauri Himanen authored Apr 28, 2020
```
Removed band path label detection. The BandStructureNormalizer has the same functionality and will apply it for all codes.
```
  d42a5739
27 Apr, 2020 1 commit
- Revert "Removed the use of section_k_band_normalized. It will be replaced by derived metainfo." · 1e26aeaf
  Lauri Himanen authored Apr 27, 2020
```
This reverts commit c0d791a4.
```
  1e26aeaf
24 Apr, 2020 1 commit
- Removed the use of section_k_band_normalized. It will be replaced by derived metainfo. · c0d791a4
  Lauri Himanen authored Apr 24, 2020
  
  c0d791a4
28 Mar, 2020 1 commit
- Fixed wrong quantity shape. · cc782ec0
  Markus Scheidgen authored Mar 28, 2020
  
  cc782ec0
25 Mar, 2020 1 commit
- Minor metainfo fix. · 1fe73174
  Markus Scheidgen authored Mar 25, 2020
  
  1fe73174
20 Mar, 2020 2 commits
- Parser optimizations. · 660338bb
  Markus Scheidgen authored Mar 20, 2020
  
  660338bb
- Remove dependency on old metainfo. · edc78862
  Markus Scheidgen authored Mar 20, 2020
  
  edc78862
19 Mar, 2020 1 commit
- Added metainfo python code. · 3de50ada
  Markus Scheidgen authored Mar 19, 2020
  
  3de50ada
13 Mar, 2020 1 commit
- Fixed adding INCARs with no metainfo to the backend. · 6e4654fa
  Markus Scheidgen authored Mar 13, 2020
  
  6e4654fa
25 Feb, 2020 2 commits
- nomad-lab/parser-vasp#2. Support for tetrahedron and nose params · 5f07d80f
  temok-mx authored Feb 25, 2020
  
  5f07d80f
- Merge commit 'b6c4adc3 ' into nomad-fair2 · 3bc3fdd1
  temok-mx authored Feb 25, 2020
  
  3bc3fdd1
24 Feb, 2020 1 commit
- nomad-FAIR#284 . String-formatting parameters %(...) were not enclosed in parenthesis · 931d29bb
  temok-mx authored Feb 24, 2020
  
  931d29bb