Merge branch 'master' of https://github.com/plumed/plumed2

CHANGES/v2.1.txt

@@ -244,6 +244,9 @@ For users:
 Unreleased changes (will be included in 2.1.5)
 ---------------------------------------------
 
+For users:
+- PLUMED now reports an error when using \ref HISTOGRAM with FREE-ENERGY without USE_ALL_DATA. See \issue{175}
+
 See branch \branch{v2.1} on git repository.
 
 

CHANGES/v2.2.txt

@@ -92,6 +92,10 @@ at what has been done to the other multicolvars in there for guidance.  Sorry fo
 Unreleased changes (will be included in 2.2.1)
 ---------------------------------------------
 
+For users:
+- PLUMED now reports an error when using \ref HISTOGRAM with UNNORMALIZED without USE_ALL_DATA. See \issue{175}
+
+
 For developers:
 - ./configure is automatically relaunched when changing ./configure or Makefile.conf. This makes it more robust
   to switch between branches.

src/analysis/Histogram.cpp

@@ -108,6 +108,8 @@ HISTOGRAM ...
 ... HISTOGRAM
 \endverbatim
 
+\bug Option FREE-ENERGY or UNNORMALIZED without USE_ALL_DATA is not working properly. See \issue{175}.
+
 */
 //+ENDPLUMEDOC
 
@@ -234,6 +236,8 @@ void Histogram::performAnalysis(){
 
   Grid* gg; IFile oldf; oldf.link(*this); 
   if( usingMemory() && oldf.FileExist(gridfname) ){
+      if(fenergy) error("FREE-ENERGY only works with USE_ALL_DATA");
+      if(unnormalized) error("UNNORMALIZED only works with USE_ALL_DATA");
       oldf.open(gridfname);
       gg = Grid::create( "probs", getArguments(), oldf, gmin, gmax, gbin, false, false, false );
       oldf.close();

src/tools/SwitchingFunction.cpp

@@ -61,7 +61,7 @@ s(r)=\frac{ 1 - \left(\frac{ r - d_0 }{ r_0 }\right)^{n} }{ 1 - \left(\frac{ r -
 \f$
 </td> <td>
 {RATIONAL R_0=\f$r_0\f$ D_0=\f$d_0\f$ NN=\f$n\f$ MM=\f$m\f$}
-</td> <td> \f$d_0=0.0\f$, \f$n=6\f$, \f$m=12\f$ </td>
+</td> <td> \f$d_0=0.0\f$, \f$n=6\f$, \f$m=2n\f$ </td>
 </tr> <tr>
 <td> EXP </td> <td>
 \f$