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

This commit is contained in:
Gareth Tribello
2018-11-04 10:21:28 +00:00
parent cb8c51e353
commit 8cb665f013
2 changed files with 6 additions and 0 deletions

View File

@ -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;

View File

@ -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: