Periodic table rescaled (!5) · Merge requests · nomad-lab / ai-toolkit / tutorial-query-nomad-archive

Merged Aakash Ashok Naik requested to merge periodic_table_rescaled into master 4 years ago

Jan 31, 2021
- Update periodictable.py · 329b3295
  Aakash Ashok Naik authored 4 years ago
  
  329b3295
- Update atomic_properties_dft.py · 4d2b7f15
  Aakash Ashok Naik authored 4 years ago
  
  4d2b7f15
- Update atomic_properties_pymat.py · 051c64b1
  Aakash Ashok Naik authored 4 years ago
  
  051c64b1
- Update data/json/periodic_table.json · a2d69333
  Aakash Ashok Naik authored 4 years ago
  
  a2d69333
- Update data/csv/no_spin_hse06_really_tight.csv,... · 4cd62c3b
  Aakash Ashok Naik authored 4 years ago
  
  Update data/csv/no_spin_hse06_really_tight.csv, data/csv/no_spin_pbe0_really_tight.csv, data/csv/no_spin_pbe_really_tight.csv, data/csv/no_spin_pbesol_really_tight.csv, data/csv/no_spin_pw-lda_really_tight.csv, data/csv/no_spin_revpbe_really_tight.csv, data/csv/spin_hse06_really_tight.csv, data/csv/spin_pbe0_really_tight.csv, data/csv/spin_pbe_really_tight.csv, data/csv/spin_pbesol_really_tight.csv, data/csv/spin_pw-lda_really_tight.csv, data/csv/spin_revpbe_really_tight.csv files
  4cd62c3b
- Rescaled table and added units · 3e73b5cb
  Aakash Ashok Naik authored 4 years ago
  
  3e73b5cb
- Upload New File · d1af335c
  Aakash Ashok Naik authored 4 years ago
  
  d1af335c
- Upload New File · 0b296c29
  Aakash Ashok Naik authored 4 years ago
  
  0b296c29
- Delete periodictable.py · 721fd2a9
  Aakash Ashok Naik authored 4 years ago
  
  721fd2a9
- Delete atomic_properties_pymat.py · 5674bb8d
  Aakash Ashok Naik authored 4 years ago
  
  5674bb8d
- Delete atomic_properties_dft.py · 9586e97b
  Aakash Ashok Naik authored 4 years ago
  
  9586e97b
- Upload New File · 16c4126b
  Aakash Ashok Naik authored 4 years ago
  
  16c4126b
- Deleted query_nomad_archive_v2.ipynb · 9f5dc1ef
  Aakash Ashok Naik authored 4 years ago
  
  9f5dc1ef
- Update query_nomad_archive_v2.ipynb · 8a2452a4
  Aakash Ashok Naik authored 4 years ago
  
  8a2452a4
- Update query_nomad_archive_v2.ipynb · 571ec3b8
  Aakash Ashok Naik authored 4 years ago
  
  571ec3b8
- Deleted query_nomad_archive_v2.ipynb · ba95ea9e
  Aakash Ashok Naik authored 4 years ago
  
  ba95ea9e
- Update query_nomad_archive_v2.ipynb · aac5ff33
  Aakash Ashok Naik authored 4 years ago
  
  aac5ff33
- Deleted query_nomad_archive_v2.ipynb · 321923fa
  Aakash Ashok Naik authored 4 years ago
  
  321923fa
- Update query_nomad_archive/csv/no_spin_hse06_really_tight.csv,... · 94b2ffb5
  Aakash Ashok Naik authored 4 years ago
  
  Update query_nomad_archive/csv/no_spin_hse06_really_tight.csv, query_nomad_archive/csv/no_spin_pbe0_really_tight.csv, query_nomad_archive/csv/no_spin_pbe_really_tight.csv, query_nomad_archive/csv/no_spin_pbesol_really_tight.csv, query_nomad_archive/csv/no_spin_pw-lda_really_tight.csv, query_nomad_archive/csv/no_spin_revpbe_really_tight.csv, query_nomad_archive/csv/spin_hse06_really_tight.csv, query_nomad_archive/csv/spin_pbe0_really_tight.csv, query_nomad_archive/csv/spin_pbe_really_tight.csv, query_nomad_archive/csv/spin_pbesol_really_tight.csv, query_nomad_archive/csv/spin_pw-lda_really_tight.csv, query_nomad_archive/csv/spin_revpbe_really_tight.csv, query_nomad_archive/json/periodic_table.json files
  94b2ffb5
- Update query_nomad_archive/metainfo.py · 07271932
  Aakash Ashok Naik authored 4 years ago
  
  Deleted metainfo/.gitkeep, metainfo/__init__.py files
  07271932
- change of path for metainfo.py module · 27d4a90a
  Aakash Ashok Naik authored 4 years ago
  
  27d4a90a
- change of path for metainfo.py module · 2f469c44
  Aakash Ashok Naik authored 4 years ago
  
  2f469c44

Periodic table rescaled

Merge request reports

Activity