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Apr 24, 2017
- Fix typos in B,G formula by Hill (no change in results for tetragonal thanks to symmetry) · 1adaeb09
  Sebastian Hütter authored 8 years ago
  
  1adaeb09
Nov 01, 2016
- track basis and potential in repo · 19cb2a95
  Sebastian Hütter authored 8 years ago
  
  19cb2a95
Oct 20, 2016
- Merge branch 'port-python' of gitlab@git.ccs-baumann.de:ovgu-iwf/mecha-dft.git · 03af43e5
  Sebastian Hütter authored 8 years ago
  
  03af43e5
- better convergence limits in template · e109436a
  Sebastian Hütter authored 8 years ago
  
  e109436a
- template command: BASE_PATH · 8f7e32a9
  Sebastian Hütter authored 8 years ago
  
  8f7e32a9
- Bugfixes · 3699d279
  Sebastian Hütter authored 8 years ago
  
  3699d279
Oct 19, 2016
- allow parallel execution of independent DFT calculations · 60c5c8f1
  Sebastian Hütter authored 8 years ago
  
  60c5c8f1
- translate to python · f0a4a45c
  Sebastian Hütter authored 8 years ago
  
  f0a4a45c
Oct 17, 2016
- compute B, G using formulas we have citations for · bd2f0f97
  Sebastian Hütter authored 8 years ago
  
  bd2f0f97
- write reference cell for all computations to make sure fft stays the same · e75386e3
  Sebastian Hütter authored 8 years ago
  
  e75386e3
- some var-name semantic changes · 77c81379
  Sebastian Hütter authored 8 years ago
  
  77c81379
Oct 11, 2016
- track in git · 4d6da821
  Sebastian Hütter authored 8 years ago
  
  4d6da821