diff --git a/src/USER-FEP/fix_adapt_fep.cpp b/src/USER-FEP/fix_adapt_fep.cpp index 95294bc3cb..ffd7a6d99a 100644 --- a/src/USER-FEP/fix_adapt_fep.cpp +++ b/src/USER-FEP/fix_adapt_fep.cpp @@ -211,6 +211,7 @@ int FixAdaptFEP::setmask() int mask = 0; mask |= PRE_FORCE; mask |= POST_RUN; + mask |= PRE_FORCE_RESPA; return mask; } @@ -424,10 +425,10 @@ void FixAdaptFEP::pre_force(int vflag) /* ---------------------------------------------------------------------- */ -void FixAdaptFEP::pre_force_respa(int vflag, int ilevel) +void FixAdaptFEP::pre_force_respa(int vflag, int ilevel, int) { if (ilevel < nlevels_respa-1) return; - setup_pre_force(vflag); + pre_force(vflag); } /* ---------------------------------------------------------------------- */ diff --git a/src/USER-FEP/fix_adapt_fep.h b/src/USER-FEP/fix_adapt_fep.h index a535ba8c79..5d729b74d4 100644 --- a/src/USER-FEP/fix_adapt_fep.h +++ b/src/USER-FEP/fix_adapt_fep.h @@ -38,7 +38,7 @@ class FixAdaptFEP : public Fix { void pre_force(int); void post_run(); void setup_pre_force_respa(int,int); - void pre_force_respa(int,int); + void pre_force_respa(int,int,int); private: int nadapt,resetflag,scaleflag,afterflag; diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index 701f8d9474..f12f644de8 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -192,6 +192,7 @@ int FixAdapt::setmask() int mask = 0; mask |= PRE_FORCE; mask |= POST_RUN; + mask |= PRE_FORCE_RESPA; return mask; } @@ -400,10 +401,10 @@ void FixAdapt::pre_force(int vflag) /* ---------------------------------------------------------------------- */ -void FixAdapt::pre_force_respa(int vflag, int ilevel) +void FixAdapt::pre_force_respa(int vflag, int ilevel, int) { if (ilevel < nlevels_respa-1) return; - setup_pre_force(vflag); + pre_force(vflag); } /* ---------------------------------------------------------------------- */ diff --git a/src/fix_adapt.h b/src/fix_adapt.h index 4ec88ca4e1..6fcc33ad62 100644 --- a/src/fix_adapt.h +++ b/src/fix_adapt.h @@ -38,7 +38,7 @@ class FixAdapt : public Fix { void pre_force(int); void post_run(); void setup_pre_force_respa(int,int); - void pre_force_respa(int,int); + void pre_force_respa(int,int,int); private: int nadapt,resetflag,scaleflag;