1. 07 Jun, 2017 4 commits
  2. 13 Feb, 2017 1 commit
  3. 09 Feb, 2017 1 commit
  4. 19 Jan, 2017 1 commit
  5. 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.
  6. 26 Sep, 2016 1 commit
  7. 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.
  8. 29 Jun, 2016 1 commit
  9. 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'.
  10. 26 Apr, 2016 1 commit