Commit cc6f1be8 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

first attempt to port fix halt to minimizations

parent 4015b36a

doc/src/fix_halt.txt

+1 −2
Original line number Diff line number Diff line
@@ -135,8 +135,7 @@ files"_restart.html. None of the "fix_modify"_fix_modify.html options 
are relevant to this fix.  No global or per-atom quantities are stored

by this fix for access by various "output commands"_Howto_output.html.

No parameter of this fix can be used with the {start/stop} keywords of

the "run"_run.html command.  This fix is not invoked during "energy

minimization"_minimize.html.

the "run"_run.html command.



[Restrictions:] none

src/fix_halt.cpp

+7 −0
Original line number Diff line number Diff line
@@ -143,6 +143,13 @@ void FixHalt::init() 


/* ---------------------------------------------------------------------- */



void FixHalt::min_step(double, double *)

{

  if ((update->ntimestep % nevery) == 0) end_of_step();

}



/* ---------------------------------------------------------------------- */



void FixHalt::end_of_step()

{

  // variable evaluation may invoke computes so wrap with clear/add

src/fix_halt.h

+1 −0
Original line number Diff line number Diff line
@@ -32,6 +32,7 @@ class FixHalt : public Fix { 
  int setmask();

  void init();

  void end_of_step();

  void min_step(double, double *);

  void post_run();



 private:

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