1. 23 Apr, 2020 1 commit
  2. 22 Apr, 2020 1 commit
  3. 19 Apr, 2020 1 commit
    • Victor Yu's avatar
      Clean up SCOTCH and SuperLU_DIST CMake files · 34a81ff8
      Victor Yu authored
      This will make it easier to update SCOTCH and SuperLU_DIST in the future.
      They can't be updated now, because
      
      * Some changes in SuperLU_DIST are not compatible with PEXSI
      * SuperLU_DIST segfaults when using SCOTCH 6.0.9
      34a81ff8
  4. 23 Mar, 2020 1 commit
  5. 20 Mar, 2020 1 commit
  6. 07 Mar, 2020 2 commits
  7. 25 Feb, 2020 1 commit
  8. 12 Feb, 2020 1 commit
  9. 07 Feb, 2020 1 commit
  10. 24 Jan, 2020 1 commit
    • Victor Yu's avatar
      Fix a bug in the extrapolation of PEXSI DM/EDM/FDM · 2f2eaff1
      Victor Yu authored
      In commit c16bbdb7, the FDM is not correctly extrapolated, leading
      to wrong electronic entropy in some cases. The entropy term should
      be correct now. In FHI-aims tests, the difference between PEXSI and
      diagonalization is within 10^-8.
      2f2eaff1
  11. 22 Jan, 2020 3 commits
  12. 19 Jan, 2020 1 commit
  13. 18 Jan, 2020 1 commit
  14. 14 Jan, 2020 1 commit
  15. 11 Jan, 2020 1 commit
  16. 02 Jan, 2020 1 commit
  17. 30 Dec, 2019 1 commit
  18. 18 Dec, 2019 1 commit
    • Victor Yu's avatar
      Activate GPU in auxiliary ELPA obj · cbebeb2a
      Victor Yu authored
      This mainly includes the diagonalization of the overlap matrix (if
      ill-conditioning checking is on) and the matrix multiplications in
      the transformation between generalized and standard eigenproblems,
      if available.
      cbebeb2a
  19. 13 Dec, 2019 1 commit
  20. 10 Dec, 2019 1 commit
    • Victor Yu's avatar
      Update tests · b182559d
      Victor Yu authored
      * Test both one-stage and two-stage MAGMA eigensolvers
      * Make sure MAGMA workspace is not too small
      * Test LAPACK 3.9.0 and ScaLAPACK 2.1.0
      * Rename tests for consistency
      b182559d
  21. 20 Nov, 2019 2 commits
  22. 19 Nov, 2019 1 commit
  23. 17 Nov, 2019 2 commits
  24. 14 Nov, 2019 1 commit
  25. 10 Nov, 2019 1 commit
  26. 24 Oct, 2019 2 commits
  27. 19 Oct, 2019 1 commit
  28. 18 Jul, 2019 1 commit
  29. 14 Jul, 2019 1 commit
  30. 05 Jul, 2019 1 commit
  31. 01 Jul, 2019 1 commit
    • Victor Yu's avatar
      Update docs · bebd56af
      Victor Yu authored
      ELSI now works with PETSc/SLEPc 3.1.
      bebd56af
  32. 24 Jun, 2019 1 commit
  33. 19 Jun, 2019 1 commit
  34. 18 Jun, 2019 1 commit