Commits · simple-matcher · nomad-lab / parser-vasp

Dec 04, 2020
- Removed test package from setup.py · 56eb84ff
  Markus Scheidgen authored 4 years ago
  
  View commits for tag simple-matcher simple-matcher
  
  56eb84ff
Sep 14, 2020
- Fixed use of non existing incar param. · 10973cb7
  Markus Scheidgen authored 4 years ago
  
  10973cb7
Sep 11, 2020
- Further update of README.md; mv metadata.yml -> metadata.yaml · 394b4503
  temok-mx authored 4 years ago
  
  394b4503
Sep 10, 2020
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 51fe10a2
  temok-mx authored 4 years ago
  
  51fe10a2
Aug 19, 2020
- Minor logging fixes. · bd9c04e2
  Markus Scheidgen authored 4 years ago
  
  bd9c04e2
Aug 10, 2020
- Fixed parsing of forces and stress · 0a9bb171
  Alvin Noe Ladines authored 4 years ago
  
  0a9bb171
Aug 03, 2020
- Make workflow information searchable. · 31e56cb7
  Markus Scheidgen authored 4 years ago
  
  31e56cb7
Jul 30, 2020
- Switched to FairdiParser with archive not backend. · 8c2e56b0
  Markus Scheidgen authored 4 years ago
  
  8c2e56b0
Jul 28, 2020
- Converted to use metainfo · 2c8b7763
  Alvin Noe Ladines authored 4 years ago
  
  2c8b7763
Jul 14, 2020
- Removed unnecessary fermi level for DOS. · 8776a0bc
  Lauri Himanen authored 4 years ago
  
  8776a0bc
Jul 07, 2020
- Removed the output of normalized dos energies. · 1a0c8cb0
  Lauri Himanen authored 4 years ago
  
  1a0c8cb0
Jul 03, 2020
- Fixed normalized dos. #366 #354 · c0f53540
  Markus Scheidgen authored 4 years ago
  
  c0f53540
May 07, 2020
- Fixed wrong type on x_vasp_selective_dynamics. · ba060d7c
  Markus Scheidgen authored 5 years ago
  
  ba060d7c
Apr 28, 2020
- Removed band path label detection. The BandStructureNormalizer has the same... · d42a5739
  Lauri Himanen authored 5 years ago
  
  Removed band path label detection. The BandStructureNormalizer has the same functionality and will apply it for all codes.
  d42a5739
Apr 27, 2020
- Revert "Removed the use of section_k_band_normalized. It will be replaced by derived metainfo." · 1e26aeaf
  Lauri Himanen authored 5 years ago
  
  This reverts commit c0d791a4.
  1e26aeaf
Apr 24, 2020
- Removed the use of section_k_band_normalized. It will be replaced by derived metainfo. · c0d791a4
  Lauri Himanen authored 5 years ago
  
  c0d791a4
Mar 28, 2020
- Fixed wrong quantity shape. · cc782ec0
  Markus Scheidgen authored 5 years ago
  
  cc782ec0
Mar 25, 2020
- Minor metainfo fix. · 1fe73174
  Markus Scheidgen authored 5 years ago
  
  1fe73174
Mar 20, 2020
- Parser optimizations. · 660338bb
  Markus Scheidgen authored 5 years ago
  
  660338bb
- Remove dependency on old metainfo. · edc78862
  Markus Scheidgen authored 5 years ago
  
  edc78862
Mar 19, 2020
- Added metainfo python code. · 3de50ada
  Markus Scheidgen authored 5 years ago
  
  3de50ada
Mar 13, 2020
- Fixed adding INCARs with no metainfo to the backend. · 6e4654fa
  Markus Scheidgen authored 5 years ago
  
  View commits for tag legacy-metainfo legacy-metainfo
  
  6e4654fa
Feb 25, 2020
- nomad-lab/parser-vasp#2. Support for tetrahedron and nose params · 5f07d80f
  temok-mx authored 5 years ago
  
  5f07d80f
- Merge commit 'b6c4adc3 ' into nomad-fair2 · 3bc3fdd1
  temok-mx authored 5 years ago
  
  3bc3fdd1
Feb 24, 2020
- nomad-FAIR#284 . String-formatting parameters %(...) were not enclosed in parenthesis · 931d29bb
  temok-mx authored 5 years ago
  
  931d29bb
- nomad-FAIR#284 . String-formatting parameters %(...) were not enclosed in parenthesis · b6c4adc3
  temok-mx authored 5 years ago
  
  b6c4adc3
Nov 07, 2019
- Relaxed parser error after xml parse error. · d9c9b3c1
  Markus Scheidgen authored 5 years ago
  
  d9c9b3c1
Nov 05, 2019
- Updated all VASPs incars as in VASPs wiki · 01427529
  temok-mx authored 5 years ago
  
  01427529
Oct 17, 2019
- Added xz compression · 7d850bd7
  Alvin Noe Ladines authored 5 years ago
  
  7d850bd7
Oct 15, 2019
- Fixed missing variable error. · dc59aff1
  Markus Scheidgen authored 5 years ago
  
  dc59aff1
May 08, 2019
- fixed cos() import issue. · 34041b66
  Daniel Speckhard authored 6 years ago
  
  34041b66
- changed logging message. · 3bb3b6e2
  Daniel Speckhard authored 6 years ago
  
  3bb3b6e2
May 07, 2019
- changed warning level when no x structure. · 7b10416a
  Daniel Speckhard authored 6 years ago
  
  7b10416a
Mar 28, 2019
- Fixed wrong units. · 039ed6cb
  Markus Scheidgen authored 6 years ago
  
  039ed6cb
Mar 14, 2019
- Fixed code name. · 190b1dc1
  Markus Scheidgen authored 6 years ago
  
  190b1dc1
Mar 06, 2019
- Reduced warnings. · aa7414da
  Markus Scheidgen authored 6 years ago
  
  aa7414da
Feb 13, 2019
- Added support for compressed .xml files. · 386c64df
  Markus Scheidgen authored 6 years ago
  
  386c64df
Feb 04, 2019
- Added minimar OUTCAR parser that can be used in absence of .xml to create repository meta data. · 05e5f608
  Markus Scheidgen authored 6 years ago
  
  05e5f608
Sep 28, 2018
- Revised logging. · 3670915d
  Markus Scheidgen authored 6 years ago
  
  3670915d
Sep 25, 2018
- Fixed setup. · 124adddc
  Markus Scheidgen authored 6 years ago
  
  124adddc