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  1. 05 Nov, 2018 1 commit
    • dw113919's avatar
      Modified code to compile with nagfor. · 9086ed21
      dw113919 authored 
      This compiler is a bit picky about some fortran features. In particular it does not like
dummy arguments to be used as dimensions before they are declared...
      9086ed21
  3. 18 Oct, 2018 1 commit
  5. 10 Oct, 2018 1 commit
  7. 05 Oct, 2018 1 commit
  9. 01 Oct, 2018 3 commits
  11. 25 Sep, 2018 1 commit
  13. 15 Aug, 2018 1 commit
  15. 24 Jul, 2018 1 commit
  17. 30 May, 2018 1 commit
  19. 10 Apr, 2018 1 commit
  21. 21 Sep, 2017 1 commit
  23. 09 Aug, 2017 1 commit
  25. 14 Jul, 2017 1 commit
  27. 11 Jul, 2017 1 commit
    • Daniel Wortmann's avatar
      More fixes · 676c6978
      Daniel Wortmann authored 
      Introduced module types_rcmat with a general type for real/complex matrices
Introduced general IO for these matrices
      676c6978
  29. 27 Jun, 2017 1 commit
  31. 21 Jun, 2017 1 commit
  33. 07 Jun, 2017 4 commits
  35. 13 Feb, 2017 1 commit
  37. 09 Feb, 2017 1 commit
  39. 19 Jan, 2017 1 commit
  41. 25 Nov, 2016 1 commit
    • Gregor Michalicek's avatar
      Changes from Gustav to math/cfft.F · a6057201
      Gregor Michalicek authored 
      An error occured because an FFT mesh size had too large prime factors.
This lead to too small array sizes in math/cfft.F. Gustav had a
version of this routine in which this error was already fixed. I
pasted his changes to math/cfft.F.
      a6057201
  43. 26 Sep, 2016 1 commit
  45. 01 Jul, 2016 1 commit
    • Gregor Michalicek's avatar
      Reverted initialization of fg2 arrau in fft2d to previous approach · 1e25f5e8
      Gregor Michalicek authored 
      The error

forrtl: severe (408): fort: (2): Subscript #2 of the array FGXY has value 34 which is greater than the upper bound of 33

Image              PC                Routine            Line        Source
fleur              000000000197775A  Unknown               Unknown  Unknown
fleur              0000000001976256  Unknown               Unknown  Unknown
fleur              00000000019200C0  Unknown               Unknown  Unknown
fleur              00000000018A8A5F  Unknown               Unknown  Unknown
fleur              00000000018A8F81  Unknown               Unknown  Unknown
fleur              0000000000DD50A2  m_fft2d_mp_fft2d_          47  fft2d.F90
fleur              0000000001264290  m_vvacxcg_mp_vvac         257  vvacxcg.f90
fleur              00000000007C8301  m_vgen_mp_vgen_           547  vgen.F90
fleur              00000000004077E3  m_fleur_mp_fleur_         406  fleur.F90
fleur              0000000000794AF2  m_fleur_jobs_mp_f         170  fleur_job.F90
fleur              0000000000794FF0  MAIN__                    238  fleur_job.F90
fleur              00000000004061DC  Unknown               Unknown  Unknown
libc.so.6          000000368A01D9F4  Unknown               Unknown  Unknown
fleur              00000000004060E9  Unknown               Unknown  Unknown

was thrown.
      1e25f5e8
  47. 29 Jun, 2016 1 commit
  49. 02 Jun, 2016 1 commit
    • Gustav Bihlmayer's avatar
      Some modifications to make the program work with complex phases: · a799828d
      Gustav Bihlmayer authored 
      changed phas(n) in spgrot.f to cc. Use cc of pgfft in pwden.F90,
partially in fft(3,2)d(xc).f90, and of phas in cdnovlp.F90.
Introduce complex phase & derived variables in q_int_sl.f90, hsint.F90,
vacfun.f90, potdis.f90. Initializations in strgn.f90, real arguments
for dot_product() in pwint(_sl).f90 & phasy1.f90. Stop message in
rw_symfile.f changed to 'complex phases not fully tested'.
      a799828d
  51. 26 Apr, 2016 1 commit