git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12943 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/USER-FEP/fix_adapt_fep.cpp

@@ -30,6 +30,7 @@
 #include "fix_store.h"
 #include "input.h"
 #include "variable.h"
+#include "respa.h"
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
@@ -383,6 +384,9 @@ void FixAdaptFEP::init()
     if (ifix < 0) error->all(FLERR,"Could not find fix adapt storage fix ID");
     fix_chg = (FixStore *) modify->fix[ifix];
   }
+
+  if (strstr(update->integrate_style,"respa"))
+    nlevels_respa = ((Respa *) update->integrate)->nlevels;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -394,6 +398,14 @@ void FixAdaptFEP::setup_pre_force(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
+void FixAdaptFEP::setup_pre_force_respa(int vflag, int ilevel)
+{
+  if (ilevel < nlevels_respa-1) return;
+  setup_pre_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixAdaptFEP::pre_force(int vflag)
 {
   if (nevery == 0) return;
@@ -412,6 +424,14 @@ void FixAdaptFEP::pre_force(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
+void FixAdaptFEP::pre_force_respa(int vflag, int ilevel)
+{
+  if (ilevel < nlevels_respa-1) return;
+  setup_pre_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixAdaptFEP::post_run()
 {
   if (resetflag) restore_settings();

src/USER-FEP/fix_adapt_fep.h

@@ -37,10 +37,13 @@ class FixAdaptFEP : public Fix {
   void setup_pre_force(int);
   void pre_force(int);
   void post_run();
+  void setup_pre_force_respa(int,int);
+  void pre_force_respa(int,int);
 
  private:
   int nadapt,resetflag,scaleflag,afterflag;
   int anypair;
+  int nlevels_respa;
   char *id_fix_diam,*id_fix_chg;
   class FixStore *fix_diam,*fix_chg;
 

src/fix_adapt.cpp

@@ -26,6 +26,7 @@
 #include "fix_store.h"
 #include "input.h"
 #include "variable.h"
+#include "respa.h"
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
@@ -368,6 +369,9 @@ void FixAdapt::init()
     if (ifix < 0) error->all(FLERR,"Could not find fix adapt storage fix ID");
     fix_chg = (FixStore *) modify->fix[ifix];
   }
+
+  if (strstr(update->integrate_style,"respa"))
+    nlevels_respa = ((Respa *) update->integrate)->nlevels;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -379,6 +383,14 @@ void FixAdapt::setup_pre_force(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
+void FixAdapt::setup_pre_force_respa(int vflag, int ilevel)
+{
+  if (ilevel < nlevels_respa-1) return;
+  setup_pre_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixAdapt::pre_force(int vflag)
 {
   if (nevery == 0) return;
@@ -388,6 +400,14 @@ void FixAdapt::pre_force(int vflag)
 
 /* ---------------------------------------------------------------------- */
 
+void FixAdapt::pre_force_respa(int vflag, int ilevel)
+{
+  if (ilevel < nlevels_respa-1) return;
+  setup_pre_force(vflag);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void FixAdapt::post_run()
 {
   if (resetflag) restore_settings();

src/fix_adapt.h

@@ -37,10 +37,13 @@ class FixAdapt : public Fix {
   void setup_pre_force(int);
   void pre_force(int);
   void post_run();
+  void setup_pre_force_respa(int,int);
+  void pre_force_respa(int,int);
 
  private:
   int nadapt,resetflag,scaleflag;
   int anypair;
+  int nlevels_respa;
   char *id_fix_diam,*id_fix_chg;
   class FixStore *fix_diam,*fix_chg;