Moved code for ensuring single precision timestep is correctly conver…

…ted from DataPassingObject to PlumedMain

This conversion was being done for all the single scalars that were being passed to PLUMED.  This is not necessary
and in fact breaks the passing of the energy from gromacs to PLUMED.  The passing of the energy from GROMACS to plumed should now work

src/core/DataPassingObject.cpp

@@ -84,13 +84,6 @@ double DataPassingObjectTyped<T>::MD2double(const TypesafePtr & m) const {
 template <class T>
 void DataPassingObjectTyped<T>::saveValueAsDouble( const TypesafePtr & val ) {
   hasbackup=true; bvalue=double(val.template get<T>());
-  // The following is to avoid extra digits in case the MD code uses floats
-  // e.g.: float f=0.002 when converted to double becomes 0.002000000094995
-  // To avoid this, we keep only up to 6 significant digits after first one
-  if( sizeof(T)<=4) {
-    double magnitude=std::pow(10,std::floor(std::log10(bvalue)));
-    bvalue=std::round(bvalue/magnitude*1e6)/1e6*magnitude;
-  }
 }
 
 template <class T>

src/core/PlumedMain.cpp

@@ -664,6 +664,14 @@ void PlumedMain::cmd(std::string_view word,const TypesafePtr & val) {
           ts = actionSet.selectWithLabel<ActionToPutData*>("timestep");
         }
         if( !ts->setValuePointer("timestep", val ) ) plumed_error();
+        // The following is to avoid extra digits in case the MD code uses floats 
+        // e.g.: float f=0.002 when converted to double becomes 0.002000000094995
+        // To avoid this, we keep only up to 6 significant digits after first one
+        if( getRealPrecision()<=4 ) {
+            Value* tstepv = ts->copyOutput(0); 
+            double magnitude=std::pow(10,std::floor(std::log10(tstepv->get())));
+            tstepv->set( std::round(tstepv->get()/magnitude*1e6)/1e6*magnitude );
+        }
         ts->updateUnits( passtools.get() );
       }
       break;