Commits · optimization · Michele Nottoli / gext

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Jun 24, 2024
- last modification of berny & geometric for executing fitting: diff &... · 4ca36276
  Zahra Askarpour authored Jun 24, 2024
  4ca36276
Mar 04, 2024
- More general tangent + check tangent. · b1c6167f
  Michele Nottoli authored Mar 4, 2024
  
  b1c6167f
- Fixed normal tangent case. · 2ae7f6e6
  Michele Nottoli authored Mar 4, 2024
  
  2ae7f6e6
- Converted diff coefficients to normal coefficients. · 63489817
  Michele Nottoli authored Mar 4, 2024
  
  63489817
- Test fitting done. · 8685c877
  Michele Nottoli authored Mar 4, 2024
  
  8685c877
- Checked descriptors. · a7068085
  Michele Nottoli authored Mar 4, 2024
  
  a7068085
- More general descriptors. · 7da1d3f3
  Michele Nottoli authored Mar 4, 2024
  
  7da1d3f3
Feb 27, 2024
- rotating tangent space + diff_fitting · 673d7d81
  Askarpour, Zahra authored Feb 27, 2024
  
  673d7d81
Feb 21, 2024
- tangent point is one point before the last one · 8f37f70b
  Askarpour, Zahra authored Feb 21, 2024
  
  8f37f70b
Feb 16, 2024
- fitting is working now · 8ef9b9b0
  Askarpour, Zahra authored Feb 16, 2024
  
  8ef9b9b0
Feb 15, 2024
- test_fitting works · 84b04f68
  Askarpour, Zahra authored Feb 15, 2024
  
  84b04f68
- test_fitting works · 8b774296
  Askarpour, Zahra authored Feb 15, 2024
  
  8b774296
- DiffFitting · 0c054fa4
  Askarpour, Zahra authored Feb 15, 2024
  
  0c054fa4
Nov 07, 2023
- Bump version: 0.7.0 → 0.7.1 · 7c4d15ed
  Michele Nottoli authored Nov 7, 2023
  
  View commits for tag v0.7.1 v0.7.1
  
  7c4d15ed
- Merge branch 'docs' into 'main' · b907c1a1
  Michele Nottoli authored Nov 7, 2023
  b907c1a1
- Documentation and lint. · 18a0b79e
  Michele Nottoli authored Nov 7, 2023
  
  18a0b79e
- Bump version: 0.6.0 → 0.7.0 · 8095f62d
  Michele Nottoli authored Nov 7, 2023
  
  View commits for tag v0.7.0 v0.7.0
  
  8095f62d
- Merge branch 'update' into 'main' · 6d7c535a
  Michele Nottoli authored Nov 7, 2023
  6d7c535a
- Loosened threshold due to Coulomb descriptors. · 9d524710
  Michele Nottoli authored Nov 7, 2023
  
  9d524710
- Checking also Coulomb descriptors. · e5ea309e
  Michele Nottoli authored Nov 7, 2023
  
  e5ea309e
- Added a test for time reversibility. · 0ae1eed9
  Michele Nottoli authored Nov 7, 2023
  
  0ae1eed9
- Improved test. · 665c1d5e
  Michele Nottoli authored Nov 7, 2023
  
  665c1d5e
- Update. · 9eabda30
  Michele Nottoli authored Nov 7, 2023
  
  9eabda30
- Lint. · 8069bfc3
  Michele Nottoli authored Nov 7, 2023
  
  8069bfc3
- Time reversible working. · 7dfaccc0
  Michele Nottoli authored Nov 7, 2023
  
  7dfaccc0
Nov 06, 2023
- Implemented regularization. · 0f0a4592
  Michele Nottoli authored Nov 6, 2023
  
  0f0a4592
- Lint. · e338089a
  Michele Nottoli authored Nov 6, 2023
  
  e338089a
- Updated list of options. · d3023243
  Michele Nottoli authored Nov 6, 2023
  
  d3023243
- Supported options are now a class attribute. · 2c689449
  Michele Nottoli authored Nov 6, 2023
  
  2c689449
- Now it is possible to skip overlap storing. · e2b4ca59
  Michele Nottoli authored Nov 6, 2023
  
  e2b4ca59
- Reshape. · f60da40e
  Michele Nottoli authored Nov 6, 2023
  
  f60da40e
- Updated errors. · bfb73bcb
  Michele Nottoli authored Nov 6, 2023
  
  bfb73bcb
Nov 03, 2023
- Bump version: 0.5.0 → 0.6.0 · 4e708ccc
  Michele Nottoli authored Nov 3, 2023
  
  View commits for tag v0.6.0 v0.6.0
  
  4e708ccc
- Merge branch 'coefficients' into 'main' · acb93543
  Michele Nottoli authored Nov 3, 2023
  acb93543
- Added a new test. · edd1566c
  Michele Nottoli authored Nov 3, 2023
  
  edd1566c
- Now allowing to guess coefficients. · 33e96205
  Michele Nottoli authored Nov 3, 2023
  
  33e96205
- Merge branch 'options' into 'main' · b5cbeecb
  Michele Nottoli authored Nov 3, 2023
  b5cbeecb
- Lint. · 0a72fd08
  Michele Nottoli authored Nov 3, 2023
  
  0a72fd08
- Option for partially filled and tests. · e7af1061
  Michele Nottoli authored Nov 3, 2023
  
  e7af1061
- Options working. · a748e52d
  Michele Nottoli authored Nov 3, 2023
  
  a748e52d