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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12947 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-01-19 19:02:46 +00:00
parent 7f94deb3db
commit c377d599d0
4 changed files with 8 additions and 6 deletions
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5
src/USER-FEP/fix_adapt_fep.cpp
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@ -211,6 +211,7 @@ int FixAdaptFEP::setmask()
int mask = 0; int mask = 0;
mask |= PRE_FORCE; mask |= PRE_FORCE;
mask |= POST_RUN; mask |= POST_RUN;
mask |= PRE_FORCE_RESPA;
return mask; 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; if (ilevel < nlevels_respa-1) return;
setup_pre_force(vflag); pre_force(vflag);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

2
src/USER-FEP/fix_adapt_fep.h
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@ -38,7 +38,7 @@ class FixAdaptFEP : public Fix {
void pre_force(int); void pre_force(int);
void post_run(); void post_run();
void setup_pre_force_respa(int,int); void setup_pre_force_respa(int,int);
void pre_force_respa(int,int); void pre_force_respa(int,int,int);
private: private:
int nadapt,resetflag,scaleflag,afterflag; int nadapt,resetflag,scaleflag,afterflag;

5
src/fix_adapt.cpp
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@ -192,6 +192,7 @@ int FixAdapt::setmask()
int mask = 0; int mask = 0;
mask |= PRE_FORCE; mask |= PRE_FORCE;
mask |= POST_RUN; mask |= POST_RUN;
mask |= PRE_FORCE_RESPA;
return mask; 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; if (ilevel < nlevels_respa-1) return;
setup_pre_force(vflag); pre_force(vflag);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

2
src/fix_adapt.h
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@ -38,7 +38,7 @@ class FixAdapt : public Fix {
void pre_force(int); void pre_force(int);
void post_run(); void post_run();
void setup_pre_force_respa(int,int); void setup_pre_force_respa(int,int);
void pre_force_respa(int,int); void pre_force_respa(int,int,int);
private: private:
int nadapt,resetflag,scaleflag; int nadapt,resetflag,scaleflag;