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Sep 11, 2020
- Further update of README.md; mv metadata.yml -> metadata.yaml · fa88a70b
  temok-mx authored 4 years ago
  
  fa88a70b
Sep 10, 2020
- Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags · 22997a30
  temok-mx authored 4 years ago
  
  22997a30
Apr 29, 2020
- Imported fixes 1-11 @ nomad-lab/parser-gaussian#4 from @nomad-fair into @nomad-fair-metainfo · 3d51c6f6
  temok-mx authored 5 years ago
  
  3d51c6f6
Mar 20, 2020
- Parser optimizations. · 2e2a4cc9
  Markus Scheidgen authored 5 years ago
  
  2e2a4cc9
- Remove dependency on old metainfo. · ab61bf9c
  Markus Scheidgen authored 5 years ago
  
  ab61bf9c
Mar 19, 2020
- Fixed gitignore. · c0a634e4
  Markus Scheidgen authored 5 years ago
  
  c0a634e4
- Added metainfo python code. · 795f1076
  Markus Scheidgen authored 5 years ago
  
  795f1076
Feb 12, 2020
- parser-gaussian/issues/3#note_50717. Further updates to match current LibXC_v4.3.4 · 022a2af6
  temok-mx authored 5 years ago
  
  022a2af6
Feb 06, 2020
- Gitlab parser-gaussian#3. Updated the dict that translates Gaussian... · 76e5c29e
  temok-mx authored 5 years ago
  76e5c29e
Aug 16, 2019
- Fixed broken calc to system refs. · 15d0110c
  Markus Scheidgen authored 5 years ago
  
  15d0110c
Feb 10, 2019
- Removed scala files. · 02c301eb
  Daniel Speckhard authored 6 years ago
  
  02c301eb
Feb 08, 2019
- Fixed section partitioning error with section_system. · f68330c5
  Daniel Speckhard authored 6 years ago
  
  f68330c5
Jul 20, 2018
- Updated copyright info. · 018ff68a
  Markus Scheidgen authored 6 years ago
  
  018ff68a
Jul 13, 2018
- Added copyright statements and license. · a158c505
  Markus Scheidgen authored 6 years ago
  
  a158c505
Oct 25, 2017
- license header for scala files · bf6bdf23
  Mohamed, Fawzi Roberto (fawzi) authored 7 years ago
  
  View commits for tag preMetaRename preMetaRename
  
  bf6bdf23
Jul 12, 2017
- Improved Gaussian parser with alternative parsing for eigenvalues and hybrid coefficients · 319583f0
  Rosendo Valero Montero authored 7 years ago
  
  319583f0
Mar 31, 2017
- Remove method strip in x_gaussian_settings · 11486bc2
  Rosendo Valero Montero authored 8 years ago
  
  11486bc2
- Gaussian parser metadata "configuration_periodic_dimensions" and... · 476d73b8
  Rosendo Valero Montero authored 8 years ago
  476d73b8
Feb 21, 2017
- Changes to close x_gaussian_section_elstruc_method and section_XC_functionals properly · 9e4f528a
  Rosendo Valero Montero authored 8 years ago
  
  9e4f528a
Oct 08, 2016
- fixing infinite loop in frequences parsing · d68dc546
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  View commits for tag 2.2.0 2.2.0
  
  d68dc546
Sep 14, 2016
- Last version of Gaussian parser · 752a64e9
  Rosendo Valero Montero authored 8 years ago
  
  752a64e9
Sep 13, 2016
- Updated version with all metadata · a6cc5928
  Rosendo Valero Montero authored 8 years ago
  
  a6cc5928
Sep 09, 2016
- Last version of parser · cab51190
  Rosendo Valero Montero authored 8 years ago
  
  cab51190
Jul 25, 2016
- Improved parser and some new test output files · 81b61280
  Rosendo Valero Montero authored 8 years ago
  
  View commits for tag 2.1.0 2.1.0
  
  81b61280
Jul 21, 2016
- Improved parser · 805e2672
  Rosendo Valero Montero authored 8 years ago
  
  805e2672
Jul 19, 2016
- Gaussian parser with ground and excited state energies · 59b7d7a5
  Rosendo Valero Montero authored 8 years ago
  
  59b7d7a5
- Gaussian parser with ground and excited state energies · 5541fb80
  Rosendo Valero Montero authored 8 years ago
  
  5541fb80
- Gaussian parser with ground and excited state energies · 891a92d6
  Rosendo Valero Montero authored 8 years ago
  
  891a92d6
- Gaussian parser with ground and excited state energies · 8fcd1fc2
  Rosendo Valero Montero authored 8 years ago
  
  8fcd1fc2
- Gaussian parser with ground and excited state energies · cf285c82
  Rosendo Valero Montero authored 8 years ago
  
  cf285c82
Jul 08, 2016
- improve parser · 49bc2765
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  49bc2765
Jul 05, 2016
- Modified output test file · 4e663d50
  Rosendo Valero Montero authored 8 years ago
  
  4e663d50
- Version of Gaussian parser with method processing · be866d09
  Rosendo Valero Montero authored 8 years ago
  
  be866d09
Jun 23, 2016
- Change variable name from python2Exe to pythonExe · d62c48ba
  ankit kariryaa authored 8 years ago
  
  d62c48ba
- Add test env for python2 (python3 is te default now) · ce5b4b00
  ankit kariryaa authored 8 years ago
  
  ce5b4b00
Jun 22, 2016
- avoid double meit of program_name (fixed value and regexp name) · 32c71992
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  32c71992
Jun 21, 2016
- python3: futurize stage2 · 4784f215
  Mohamed, Fawzi Roberto (fawzi) authored 8 years ago
  
  4784f215
Jun 20, 2016
- Gaussian parser including up to force constant matrix · e5f2c88a
  Rosendo Valero Montero authored 8 years ago
  
  e5f2c88a
Jun 10, 2016
- Several new sections added · beb2cbbe
  Rosendo Valero Montero authored 9 years ago
  
  beb2cbbe
May 19, 2016
- fix for metainfo rename target_multiplicity spin_target_multiplicity · 16a72f9e
  Mohamed, Fawzi Roberto (fawzi) authored 9 years ago
  
  16a72f9e