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  1. May 19, 2015
  2. May 18, 2015
  3. May 17, 2015
    • Giovanni Bussi's avatar
      Removed static vars from lapack · a94b94b2
      Giovanni Bussi authored
      It seems the lapack routine I took from gromacs are not threadsafe.
      Indeed, routines slasq5 and dlasq5 contained static variables.
      I removed all of them and everything seems to still work correctly.
      This seems to solve the problem that @gtribello
      found in his no-buffer branch.
      a94b94b2
  4. May 14, 2015
  5. May 05, 2015
  6. May 04, 2015
  7. Apr 29, 2015
    • Giovanni Bussi's avatar
      Eliminated box copy · 59e9513c
      Giovanni Bussi authored
      There was an extra copy of the box in ActionAtomistic,
      namely ActionAtomistic::box and ActionAtomistic::pbc.
      
      This means that one should take care of both copies when changing it,
      which is error prone.
      
      I eliminated ActionAtomistic::box
      59e9513c
  8. Apr 27, 2015
    • Giovanni Bussi's avatar
      changelog · 22c223b5
      Giovanni Bussi authored
      22c223b5
    • Giovanni Bussi's avatar
      Fixed FIT_TO_TEMPLATE with COM/CENTER/GHOST · 9974bfce
      Giovanni Bussi authored
      ActionWithVirtualAtoms should clean up the force on the virtual
      atom when applied. Otherwise, actions computing the force on the
      center of mass (such as FIT_TO_TEMPLATE) could compute it
      wrongly when virtual atoms are defined.
      
      I also modified a regtest so that it checks what happen when
      using COM after FIT_TO_TEMPLATE
      9974bfce
  9. Apr 24, 2015
  10. Apr 23, 2015
  11. Apr 22, 2015
  12. Apr 21, 2015
  13. Apr 15, 2015
    • Giovanni Bussi's avatar
      Tuned travis file · 5a854736
      Giovanni Bussi authored
      I changed a few things:
      1. instead of checking with "--enable-debug" and "--enable-debug --enable-debug-glibcxx"
        I always use both.
      2. I check with debug flags and serial compiler (before it was only debug+MPI)
      3. I changed the order so that runs with manual is the first and runs
        with debug options are also made earlier. This is convenient since they
        take more time
      5a854736
  14. Apr 14, 2015
  15. Apr 13, 2015
  16. Apr 10, 2015
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