Commit 8cb665f0 authored by Gareth Tribello's avatar Gareth Tribello
Browse files

Added functionality to throw error when time step changes and PLUMED is being used

parent cb8c51e3

src/USER-PLUMED/fix_plumed.cpp

+5 −0
Original line number Diff line number Diff line
@@ -446,6 +446,11 @@ void FixPlumed::min_post_force(int vflag) 
  post_force(vflag);

}



void FixPlumed::reset_dt()

{

  error->all(FLERR,"cannot reset_dt within a fix plumed action"); 

}



double FixPlumed::compute_scalar()

{

  return bias;

src/USER-PLUMED/fix_plumed.h

+1 −0
Original line number Diff line number Diff line
@@ -41,6 +41,7 @@ class FixPlumed : public Fix { 
  void post_force_respa(int, int, int);

  void min_post_force(int);

  double compute_scalar();

  void reset_dt();



 private:

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