Commits · master · Vitaly Gorbunov / FsMP_kMC

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Jul 30, 2024
- Full optimization algorithm · 2837564f
  Vitaly Gorbunov authored Jul 30, 2024
  
  2837564f
Jul 22, 2024
- Optimization with compressing and expanding unit cell. We need to tune proper... · 0be18e28
  Vitaly Gorbunov authored Jul 22, 2024
  0be18e28
Jul 16, 2024
- New optimization. Attention! We have a bug with NaN energy in main algorithm. · 0bdbaadb
  Sergey authored Jul 16, 2024
  
  0bdbaadb
Jul 05, 2024
- Preparation for new optimization · a65604e6
  Sergey authored Jul 05, 2024
  
  a65604e6
Dec 04, 2023
- Fix for readme · d96da884
  Sergey authored Dec 04, 2023
  
  d96da884
- Readme update and config file for ladder structure of TPA · 972e3794
  Sergey authored Dec 04, 2023
  
  972e3794
- Rename to forcefields · d5a9e8ff
  Sergey authored Dec 04, 2023
  
  d5a9e8ff
- Readme and config files update · bf158afe
  Sergey authored Dec 04, 2023
  
  bf158afe
- Add LICENSE · 0c32a544
  Vitaly Gorbunov authored Dec 04, 2023
  
  0c32a544
Dec 03, 2023
- Fixes for readme file · bca2ebf6
  Sergey authored Dec 03, 2023
  
  bca2ebf6
- English version of readme file · a4d85eac
  Sergey authored Dec 03, 2023
  
  a4d85eac
- Test readme file · 9da07d1c
  Sergey authored Dec 03, 2023
  
  9da07d1c
- Fix · e1db1120
  Sergey authored Dec 03, 2023
  
  e1db1120
- Merge branch 'version_1.0' · 92ecebbd
  Sergey authored Dec 03, 2023
  
  92ecebbd
- Add README.md · 598cf9e0
  Sergey authored Dec 03, 2023
  
  598cf9e0
- Readme for folder with potentials · ca41093e
  Sergey authored Dec 03, 2023
  
  ca41093e
- Now we can create loops for T and u_m in both directions · 13869e67
  Sergey authored Dec 03, 2023
  
  13869e67
Dec 02, 2023
- New files structure · 3f372a1d
  Sergey authored Dec 02, 2023
  
  3f372a1d
- Change the name of main file. We need it for configuration files · dea272e2
  Sergey authored Dec 02, 2023
  
  dea272e2
- No more need for simple potential generator · 4a61fd64
  Sergey authored Dec 02, 2023
  
  4a61fd64
Nov 13, 2023
- New structures for PA and IPA, and lambda0 calc in main file · 97855129
  Vitaly Gorbunov authored Nov 13, 2023
  
  97855129
Aug 28, 2023
- TPA ladder phase (horizontal) · 3a8c3a5d
  Sergey authored Aug 28, 2023
  
  3a8c3a5d
Aug 23, 2023
- TPA ladder phase (vertical) · bf0809c8
  Sergey authored Aug 23, 2023
  
  bf0809c8
Aug 04, 2023
- Merge branch 'temp_branch' into It_works_fine · 2e9625a4
  Sergey authored Aug 04, 2023
  
  2e9625a4
- It can help with nans problem · 8d796db2
  Sergey authored Aug 04, 2023
  
  8d796db2
Aug 03, 2023
- Optimization for IPA horizontal chains · b5586993
  Vitaly Gorbunov authored Aug 03, 2023
  
  b5586993
Jul 31, 2023
- Optimization for CW structure (TMA) · 545e9434
  Sergey authored Jul 31, 2023
  
  545e9434
- Fix for config block · 33b14042
  Sergey authored Jul 31, 2023
  
  33b14042
Jul 22, 2023
- Updated config block · 61d4cf78
  Sergey authored Jul 23, 2023
  
  61d4cf78
- Less memory for potential reading · 7dd1eb5a
  Sergey authored Jul 22, 2023
  
  7dd1eb5a
Jul 21, 2023
- New parameters for TPA structure · fab72ea2
  Sergey authored Jul 21, 2023
  
  fab72ea2
- Merge branch 'test_opt_cell_3x3' into It_works_fine · a8d53269
  Sergey authored Jul 21, 2023
  
  a8d53269
- Corrections for unit cell optimization algo and other places · 23d5b2e8
  Sergey authored Jul 21, 2023
  
  23d5b2e8
- New algo for unit sell optimization · ec614320
  Sergey authored Jul 21, 2023
  
  ec614320
Jul 19, 2023
- Light clean up the main · 415993b4
  Vitaly Gorbunov authored Jul 19, 2023
  
  415993b4
- Check the FF symmetry & rename write_xyz and redefine MCS · 8233f22d
  Vitaly Gorbunov authored Jul 19, 2023
  
  8233f22d
- Rename the statistics file and name of the structures · f4434844
  Vitaly Gorbunov authored Jul 19, 2023
  
  f4434844
- Structures for TPA and IPA chains are added · 2df86e0d
  Vitaly Gorbunov authored Jul 19, 2023
  
  2df86e0d
- Atoms in simplified xyz now can be configured · bce09e03
  Sergey authored Jul 19, 2023
  
  bce09e03
- Fix for nPart and new names for xyz files · 00e543c4
  Sergey authored Jul 19, 2023
  
  00e543c4