1. 20 May, 2021 1 commit
    • Victor Yu's avatar
      Add an option to control Wstat restart output · 2617c594
      Victor Yu authored
      Restart info was written out in every Davidson iteration. Now this can
      be changed by setting the `n_steps_write_restart` keyword. Default is 1,
      i.e. same behavior as before.
      2617c594
  2. 19 May, 2021 1 commit
    • Victor Yu's avatar
      Fix non-standard Fortran code · e23d27a0
      Victor Yu authored
      * Optional arguments in apply_operator were made non-optional, as
        optional arguments without explicit interface are disallowed. Those
        optional arguments were almost always supplied anyway when calling
        apply_operator. Without this fix, code could not work properly with
        pgfortran and nvfortran.
      
      * Argument list was incorrect when calling get_brak_hyper_parallel.
        Again, this works with some compilers because of the memory layout
        but it doesn't work with pgfortran.
      e23d27a0
  3. 30 Sep, 2019 1 commit
  4. 28 Sep, 2019 1 commit
  5. 27 Sep, 2019 1 commit
  6. 12 Apr, 2019 2 commits
  7. 11 Apr, 2019 1 commit
    • yanghan234's avatar
      Functionality of IO_kernel/function3d.f90 is tested. · 94e65cca
      yanghan234 authored
      In IO_kernel/function3d.f90, several bugs are fixed.
      In Modules/westcom.f90, an array named nlq is added to contain nl's of different q points.
      In IO_kernel/pdep_db.f90, I use write_function3d subroutine to output eigenpotentials to file and I use read_function3d immediately to read eigenpotentials from files. Difference are computed.
      In Wstat/davidson_diago.f90, I compute nl for each q point.
      
      A lot of printing sentences for test purpose are in function3d.f90 and pdep_db.f90. This needs to be removed. The format of function3d.f90 is a little bit messy,which needs to be well organized later.
      94e65cca
  8. 22 Feb, 2018 1 commit
  9. 20 Feb, 2018 1 commit
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  11. 13 Feb, 2018 1 commit
  12. 05 Jan, 2018 1 commit
  13. 19 Dec, 2017 1 commit
  14. 18 Dec, 2017 2 commits
  15. 15 Dec, 2017 1 commit
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  17. 06 Dec, 2017 1 commit
  18. 30 Nov, 2017 1 commit
  19. 28 Nov, 2017 3 commits
  20. 13 Jul, 2017 2 commits
  21. 12 Jul, 2017 1 commit
  22. 23 May, 2017 2 commits
  23. 02 May, 2017 1 commit
  24. 01 May, 2017 4 commits
  25. 30 Apr, 2017 1 commit