A fix for outputting the details of a path that is calculating using …

…the geometric formula
plumed · May 21, 2024 · 2434e5c · 2434e5c · PlumedBot · May 21, 2024
1 parent 5aa1df3
commit 2434e5c
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/src/core/ActionWithValue.cpp b/src/core/ActionWithValue.cpp
@@ -173,7 +173,7 @@ std::string ActionWithValue::getOutputComponentDescription( const std::string& c
   if( und!=std::string::npos && hyph!=std::string::npos ) plumed_merror("cannot use underscore and hyphen in name");
   if( und!=std::string::npos ) return keys.getOutputComponentDescription(cname.substr(und)) + " This particular component measures this quantity for the input CV named " + cname.substr(0,und);
   if( hyph!=std::string::npos ) return keys.getOutputComponentDescription(cname.substr(0,hyph)) + "  This is the " + cname.substr(hyph+1) + "th of these quantities";
-  plumed_massert( keys.outputComponentExists(cname), "if the component names are customizable then you should override this function" );
+  plumed_massert( keys.outputComponentExists(cname), "component " + cname + " does not exist in " + keys.getDisplayName() + " if the component names are customizable then you should override this function" );
   return keys.getOutputComponentDescription( cname );
 }
 

diff --git a/src/mapping/Path.cpp b/src/mapping/Path.cpp
@@ -240,9 +240,9 @@ Path::Path( const ActionOptions& ao ):
 {
   bool nospath, nozpath, gpath; parseFlag("NOSPATH",nospath); parseFlag("NOZPATH",nozpath); parseFlag("GPATH",gpath);
   if( gpath ) {
-    readInputLine( getShortcutLabel() + ": GPATH " + convertInputLineToString() );
-    readInputLine( getShortcutLabel() + "_gspath: COMBINE ARG=" + getShortcutLabel() + ".s PERIODIC=NO");
-    readInputLine( getShortcutLabel() + "_gzpath: COMBINE ARG=" + getShortcutLabel() + ".z PERIODIC=NO");
+    readInputLine( getShortcutLabel() + "_gpath: GPATH " + convertInputLineToString() );
+    readInputLine( getShortcutLabel() + "_gspath: COMBINE ARG=" + getShortcutLabel() + "_gpath.s PERIODIC=NO");
+    readInputLine( getShortcutLabel() + "_gzpath: COMBINE ARG=" + getShortcutLabel() + "_gpath.z PERIODIC=NO");
   }
   if( nospath && nozpath ) return;
   // Setup the properties

diff --git a/src/opes/OPESmetad.cpp b/src/opes/OPESmetad.cpp
@@ -348,7 +348,7 @@ void OPESmetad<mode>::registerKeywords(Keywords& keys)
   keys.use("UPDATE_UNTIL");
 
 //output components
-  keys.addOutputComponent("rct","default","estimate of c(t). \\f$\\frac{1}{\\beta}\\log \\langle e^{\\beta V} \\rangle\\f$, should become flat as the simulation converges. Do NOT use for reweighting");
+  keys.addOutputComponent("rct","default","estimate of c(t). log(exp(beta V)/beta, should become flat as the simulation converges. Do NOT use for reweighting");
   keys.addOutputComponent("zed","default","estimate of Z_n. should become flat once no new CV-space region is explored");
   keys.addOutputComponent("neff","default","effective sample size");
   keys.addOutputComponent("nker","default","total number of compressed kernels used to represent the bias");