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  1. Jun 03, 2015
    • Giovanni Bussi's avatar
      missing space · f2563b2a
      Giovanni Bussi authored
      travis is very picky and does not understand "allow_failure"
      if there is a wrong number of spaces
      f2563b2a
    • Giovanni Bussi's avatar
      -O0 is too slow on travis · 1cb17891
      Giovanni Bussi authored
      1cb17891
    • Giovanni Bussi's avatar
      Added cppcheck to travis · 18ebb807
      Giovanni Bussi authored
      cppcheck is installed from its github when needed
      
      Notice that the travis test doing cppcheck also does a normal g++ check.
      I did to avoid too many if's in the travis script, but should be fixed perhaps
      so that the last travis test only does cppcheck
      
      I set this test as "allowed_failures", so that is just gives a warning now
      18ebb807
    • Giovanni Bussi's avatar
      Improved cppcheck script · 7d980700
      Giovanni Bussi authored
      I invoke cppcheck from an external script that makes the reporting better.
      
      In particular, I show "fatal" errors at the end, where "fatal" means
      all reported issues with the exclusion of "style" issues and issues
      in molfile sourcecode.
      7d980700
  2. May 26, 2015
  3. May 20, 2015
  4. May 19, 2015
  5. May 18, 2015
  6. 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
  7. May 14, 2015
  8. May 05, 2015
  9. May 04, 2015
  10. 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
  11. 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
  12. Apr 24, 2015
  13. Apr 23, 2015
  14. Apr 22, 2015
  15. Apr 21, 2015
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