Merge branch 'issue-71' into v2.0

regtest/analysis/rt0/plumed.dat

@@ -27,5 +27,15 @@ HISTOGRAM ...
   RUN=1
 ... HISTOGRAM
 
+HISTOGRAM ...
+  ARG=x
+  USE_ALL_DATA
+  GRID_MIN=0.0
+  GRID_MAX=3.0
+  GRID_BIN=100
+  BANDWIDTH=0.1
+  GRID_WFILE=histoC
+... HISTOGRAM
+
 
 

src/analysis/Analysis.cpp

@@ -212,7 +212,7 @@ void Analysis::calculate(){
   // Don't store the first step (also don't store if we are getting data from elsewhere)
   if( getStep()==0 || reusing_data ) return;
   // This is used when we have a full quota of data from the first run
-  if( idata==logweights.size() ) return; 
+  if( !single_run && idata==logweights.size() ) return; 
 
   // Retrieve the bias
   double bias=0.0; for(unsigned i=0;i<biases.size();++i) bias+=biases[i]->get();