Commits · master · Pavel Stishenko / asi

May 18, 2022
- set envars · 12637d17
  Pavel V. Stishenko authored 2 years ago
  
  12637d17
- ignore dmpredict if installed · 633ae44e
  Pavel Stishenko authored 2 years ago
  
  633ae44e
- rubuster Makefile · 2276f494
  Pavel Stishenko authored 2 years ago
  
  2276f494
- cleanup code · 6b244fc1
  Pavel Stishenko authored 2 years ago
  
  6b244fc1
- added minimal test for energy computation · ecdd5156
  Pavel Stishenko authored 2 years ago
  
  ecdd5156
- added include file for memcpy · af2189b4
  Pavel Stishenko authored 2 years ago
  
  af2189b4
May 17, 2022
- added simple mpi test · bd65bce6
  Pavel Stishenko authored 2 years ago
  
  bd65bce6
May 13, 2022
- Merge remote-tracking branch 'origin/master' · b1116bff
  Pavel V. Stishenko authored 2 years ago
  
  b1116bff
- Refactored testing scripts · 1d78aa92
  Pavel V. Stishenko authored 2 years ago
  
  1d78aa92
May 11, 2022
- Added license · 8cd5a40c
  Pavel V Stishenko authored 2 years ago
  
  8cd5a40c
May 09, 2022
- API specificiation description · f27c0f65
  Pavel V. Stishenko authored 2 years ago
  
  f27c0f65
May 05, 2022
- keep working tree clean · 51667e6d
  Pavel V. Stishenko authored 2 years ago
  
  51667e6d
- Renew aims Docker image. · 0e66bddd
  Pavel V. Stishenko authored 2 years ago
  
  0e66bddd
May 04, 2022
- restored H export from aims · bc076c1c
  Pavel V. Stishenko authored 2 years ago
  
  bc076c1c
Apr 29, 2022
- updated test1.log for LDA · bf6a4c3e
  Pavel V. Stishenko authored 2 years ago
  
  bf6a4c3e
- recovered test · 7aaf11fa
  Pavel V. Stishenko authored 2 years ago
  
  7aaf11fa
- fixed import · 99984f70
  Pavel V. Stishenko authored 2 years ago
  
  99984f70
- Use ASE for initialization of calculatiors · 8a6613cd
  Pavel V. Stishenko authored 2 years ago
  
  8a6613cd
- fix scipy version · ba594c76
  Pavel V. Stishenko authored 2 years ago
  
  ba594c76
- shutted AIMS H export until fixed · ffb682a7
  Pavel V. Stishenko authored 2 years ago
  
  ffb682a7
- adde HS in log · 31204967
  Pavel V. Stishenko authored 2 years ago
  
  31204967
- install scipy via apt · 8a09b302
  Pavel V. Stishenko authored 2 years ago
  
  8a09b302
- added scipy · 6ec0d8e8
  Pavel V. Stishenko authored 2 years ago
  
  6ec0d8e8
- adde test src · 11a52222
  Pavel V. Stishenko authored 2 years ago
  
  11a52222
- added ESP SC test · fa867977
  Pavel V. Stishenko authored 2 years ago
  
  fa867977
- removed extra logging · 0b1c96e8
  Pavel V. Stishenko authored 2 years ago
  
  0b1c96e8
- set coords fro DFTB+ · 522cc0d5
  Pavel V. Stishenko authored 2 years ago
  
  522cc0d5
Apr 28, 2022
- Extended readme, Clean up Makefile · d15345ab
  Pavel V. Stishenko authored 2 years ago
  
  d15345ab
- Added some description · 7e4fd842
  Pavel V. Stishenko authored 2 years ago
  
  7e4fd842
- Added README.md · 941b73b7
  Pavel V. Stishenko authored 2 years ago
  
  941b73b7
- added stage · 00379b7e
  Pavel V. Stishenko authored 2 years ago
  
  00379b7e
- addded page · 26c7b86d
  Pavel V. Stishenko authored 2 years ago
  
  26c7b86d
- put doc in public · be9da6cb
  Pavel V. Stishenko authored 2 years ago
  
  be9da6cb
- adde doc artifact · a8e664f8
  Pavel V. Stishenko authored 2 years ago
  
  a8e664f8
- Added API documentation · 95d3efe7
  Pavel V. Stishenko authored 2 years ago
  
  95d3efe7
Apr 27, 2022
- clean up · b1ef9e77
  Pavel V. Stishenko authored 2 years ago
  
  b1ef9e77
- Added doxygen documentation · 46293840
  Pavel V. Stishenko authored 2 years ago
  
  46293840
Apr 25, 2022
- rely on slakos from docker image · ea98d245
  Pavel V. Stishenko authored 2 years ago
  
  ea98d245
- fetch slaoks · 409c6604
  Pavel V. Stishenko authored 2 years ago
  
  409c6604
- save artifacts · 4e9f5dad
  Pavel V. Stishenko authored 2 years ago
  
  4e9f5dad