Made label of moments moment-3 rather than moments-3.

moment-3 is what was in the old version of plumed
lab-cosmo · Mar 22, 2024 · a237024 · a237024
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commit a237024
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diff --git a/regtest/symfunc/rt24/colvar2.reference b/regtest/symfunc/rt24/colvar2.reference
@@ -1,4 +1,4 @@
-#! FIELDS time c2_moments-2 c2_moments-3 c2_lessthan-1 c2_lessthan-2
+#! FIELDS time c2_moment-2 c2_moment-3 c2_lessthan-1 c2_lessthan-2
  0.000000   0.0383  -0.0032   0.0005   0.0019
  0.005000   0.0427  -0.0041   0.0006   0.0023
  0.010000   0.0585  -0.0020   0.0008   0.0029

diff --git a/regtest/symfunc/rt24/plumed.dat b/regtest/symfunc/rt24/plumed.dat
@@ -4,4 +4,4 @@ PRINT ARG=mom.* FILE=colvar FMT=%8.4f
 BIASVALUE ARG=mom.* 
 
 c2: COORDINATIONNUMBER SPECIES=1-10 SWITCH={RATIONAL R_0=1.0} MOMENTS=2-3 LESS_THAN1={RATIONAL R_0=0.2} LESS_THAN2={RATIONAL R_0=0.25}
-PRINT ARG=c2.moments-2,c2.moments-3,c2.* FILE=colvar2 FMT=%8.4f 
+PRINT ARG=c2.moment-2,c2.moment-3,c2.* FILE=colvar2 FMT=%8.4f 
diff --git a/src/symfunc/CoordinationNumbers.cpp b/src/symfunc/CoordinationNumbers.cpp
@@ -145,7 +145,7 @@ void CoordinationNumbers::registerKeywords( Keywords& keys ) {
   keys.add("compulsory","R_POWER","the power to which you want to raise the distance");
   keys.addFlag("LOWMEM",false,"this flag does nothing and is present only to ensure back-compatibility");
   keys.add("optional","MOMENTS","the list of moments that you would like to calculate");
-  keys.addOutputComponent("moments","MOMENT","the moments of the distribution");
+  keys.addOutputComponent("moment","MOMENT","the moments of the distribution");
   keys.needsAction("MATRIX_VECTOR_PRODUCT"); keys.needsAction("ONES"); keys.needsAction("MOMENTS");
 }
 
@@ -183,7 +183,7 @@ CoordinationNumbers::CoordinationNumbers(const ActionOptions& ao):
   readInputLine( getShortcutLabel() + "_caverage: MEAN ARG=" + getShortcutLabel() + " PERIODIC=NO");
   for(unsigned i=0; i<moments.size(); ++i) {
     readInputLine( getShortcutLabel() + "_diffpow-" + moments[i] + ": CUSTOM ARG=" + getShortcutLabel() + "," + getShortcutLabel() + "_caverage PERIODIC=NO FUNC=(x-y)^" + moments[i] );
-    readInputLine( getShortcutLabel() + "_moments-" + moments[i] + ": MEAN ARG=" + getShortcutLabel() + "_diffpow-" + moments[i] + " PERIODIC=NO");
+    readInputLine( getShortcutLabel() + "_moment-" + moments[i] + ": MEAN ARG=" + getShortcutLabel() + "_diffpow-" + moments[i] + " PERIODIC=NO");
   }
   // Read in all the shortcut stuff
   std::map<std::string,std::string> keymap; multicolvar::MultiColvarShortcuts::readShortcutKeywords( keymap, this );