Changed names of actions created by the XAngles shortcut to ensure th…

…at an input on the nest continues working
plumed · May 22, 2024 · 4739c14 · 4739c14
1 parent 43c263d
commit 4739c14
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/src/multicolvar/XAngle.cpp b/src/multicolvar/XAngle.cpp
@@ -76,7 +76,7 @@ XAngle::XAngle(const ActionOptions& ao):
   ActionShortcut(ao)
 {
   // Create distances
-  std::string dline = getShortcutLabel() + ": DISTANCE COMPONENTS";
+  std::string dline = getShortcutLabel() + "_dists: DISTANCE COMPONENTS";
   for(unsigned i=1;; ++i) {
     std::string atstring; parseNumbered("ATOMS",i,atstring);
     if( atstring.length()==0 ) break;
@@ -85,11 +85,11 @@ XAngle::XAngle(const ActionOptions& ao):
   }
   readInputLine( dline );
   // Normalize the vectors
-  readInputLine( getShortcutLabel() + "_norm2: COMBINE ARG=" + getShortcutLabel() + ".x" + "," + getShortcutLabel() + ".y," + getShortcutLabel() + ".z POWERS=2,2,2 PERIODIC=NO");
+  readInputLine( getShortcutLabel() + "_norm2: COMBINE ARG=" + getShortcutLabel() + "_dists.x" + "," + getShortcutLabel() + "_dists.y," + getShortcutLabel() + "_dists.z POWERS=2,2,2 PERIODIC=NO");
   readInputLine( getShortcutLabel() + "_norm: CUSTOM ARG=" + getShortcutLabel() + "_norm2 FUNC=sqrt(x) PERIODIC=NO");
-  readInputLine( getShortcutLabel() + "_norm_x: CUSTOM ARG=" + getShortcutLabel() + ".x," + getShortcutLabel() + "_norm FUNC=x/y PERIODIC=NO");
-  readInputLine( getShortcutLabel() + "_norm_y: CUSTOM ARG=" + getShortcutLabel() + ".y," + getShortcutLabel() + "_norm FUNC=x/y PERIODIC=NO");
-  readInputLine( getShortcutLabel() + "_norm_z: CUSTOM ARG=" + getShortcutLabel() + ".z," + getShortcutLabel() + "_norm FUNC=x/y PERIODIC=NO");
+  readInputLine( getShortcutLabel() + "_norm_x: CUSTOM ARG=" + getShortcutLabel() + "_dists.x," + getShortcutLabel() + "_norm FUNC=x/y PERIODIC=NO");
+  readInputLine( getShortcutLabel() + "_norm_y: CUSTOM ARG=" + getShortcutLabel() + "_dists.y," + getShortcutLabel() + "_norm FUNC=x/y PERIODIC=NO");
+  readInputLine( getShortcutLabel() + "_norm_z: CUSTOM ARG=" + getShortcutLabel() + "_dists.z," + getShortcutLabel() + "_norm FUNC=x/y PERIODIC=NO");
   // Now compute the angles with matheval
   if( getName()=="XANGLES" ) readInputLine( getShortcutLabel() + "_ang: CUSTOM FUNC=acos(x) PERIODIC=NO ARG=" + getShortcutLabel() + "_norm_x");
   if( getName()=="YANGLES" ) readInputLine( getShortcutLabel() + "_ang: CUSTOM FUNC=acos(x) PERIODIC=NO ARG=" + getShortcutLabel() + "_norm_y");