Dear All,
I'm trying to calculate the coordination number of each frame of a .xtd document using Forcite RDF analysis. I try to use the following script from (Updated Link​​​​​​​)
#!perl

use strict;
use Getopt::Long;
use warnings;
use MaterialsScript qw(:all);

# Coordination Number Evolution Analysis Tool

use constant PI => 3.14159265358979323846;

# User Input Section
my \\\$doc = \\\$Documents{"H2O.xtd"};
my \\\$CNStudyTable = Documents->New("Coordination_Number_Evolution.std");
my \\\$RDFSetA = "SetA";
my \\\$RDFSetB = "SetB";
my \\\$RDFBinWidth = 0.1;
my \\\$RDFCutoff = 10;
my \\\$CNcutoff = 4;


# Count atoms in the selected set
my \\\$Batoms = \\\$doc->UnitCell->Sets(\\\$RDFSetB)->Atoms;
my \\\$BAtomcounts = scalar(@\\\$Batoms);

my \\\$Aatoms = \\\$doc->UnitCell->Sets(\\\$RDFSetA)->Atoms;
my \\\$AAtomcounts = scalar(@\\\$Aatoms);

# Get volume 
my \\\$Volume = \\\$doc->SymmetrySystem->Volume;

# Create a new study table document to hold the results
my \\\$IntegratedCNsheet = \\\$CNStudyTable->ActiveSheet;
\\\$IntegratedCNsheet->ColumnHeading(0) = "Frame";
\\\$IntegratedCNsheet->ColumnHeading(1) = "Coordination Number";
\\\$IntegratedCNsheet->ColumnHeading(2) = "Structure";

# Main loop
my \\\$numFrames = \\\$doc->Trajectory->NumFrames;
for (my \\\$counter = 1; \\\$counter <= 1; ++\\\$counter) 
{
    \\\$doc->Trajectory->CurrentFrame = \\\$counter;
    my \\\$tmpdoc = Documents->New("tmp.xsd");
    \\\$tmpdoc->CopyFrom(\\\$doc);
    \\\$IntegratedCNsheet->Cell(\\\$counter-1, 0) = \\\$counter;
    my \\\$Framedoc = Documents->New("Frame.xsd");
    \\\$Framedoc->CopyFrom(\\\$doc);
    \\\$IntegratedCNsheet->Cell(\\\$counter-1, 2) = \\\$Framedoc;
    
    # Initialize Forcite RDF analysis
    my \\\$results = Modules->Forcite->Analysis->RadialDistributionFunction(\\\$tmpdoc, Settings(
        RDFBinWidth => \\\$RDFBinWidth, 
        RDFCutoff => \\\$RDFCutoff, 
        RDFSetA => \\\$RDFSetA, 
        RDFSetB => \\\$RDFSetB));
    my \\\$outRDFChart = \\\$results->RDFChart;
    my \\\$outRDFChartAsStudyTable = \\\$results->RDFChartAsStudyTable;    
    my \\\$columnCount = \\\$outRDFChartAsStudyTable->Sheets(2)->ColumnCount;
    my \\\$rowCount = \\\$outRDFChartAsStudyTable->Sheets(2)->RowCount;
    
    # COllect RDF data    
    # Generate a temp studytable    
    my \\\$tmpStudyTable = Documents->New("Coordination_Number_\\\$counter.std");
    my \\\$calcSheet = \\\$tmpStudyTable->ActiveSheet;
    \\\$calcSheet->ColumnHeading(0) = "r(Angstrom)";
    \\\$calcSheet->ColumnHeading(1) = "g(r)";
    \\\$calcSheet->ColumnHeading(2) = "IntegratedCN";

    # Get r data from RDF studytable    
    for (my \\\$rownum = 0; \\\$rownum < \\\$rowCount; ++\\\$rownum) 
    {    
        my \\\$cell = \\\$outRDFChartAsStudyTable->Sheets(2)->Cell(\\\$rownum, 0);
        \\\$calcSheet->Cell(\\\$rownum, 0) = \\\$cell;        
    }
    
    # Get coordination number and integrated coordination number data from RDF studytable    
    my \\\$integratedRDF;
    my \\\$CoordinateNumber;
    my \\\$integratedCN;        
    for (my \\\$rownum = 0; \\\$rownum < \\\$rowCount; ++\\\$rownum) 
    {
        my \\\$r = \\\$outRDFChartAsStudyTable->Sheets(2)->Cell(\\\$rownum, 0);
        \\\$calcSheet->Cell(\\\$rownum, 0) = \\\$r;        
        my \\\$gr = \\\$outRDFChartAsStudyTable->Sheets(2)->Cell(\\\$rownum, 1);
        \\\$calcSheet->Cell(\\\$rownum, 1) = \\\$gr;        
        \\\$integratedRDF = \\\$integratedRDF + \\\$gr;        
        \\\$CoordinateNumber = \\\$BAtomcounts * \\\$gr * 4 * PI * \\\$r * \\\$r * \\\$RDFBinWidth / \\\$Volume;        
        \\\$integratedCN = \\\$integratedCN + \\\$CoordinateNumber;        
        \\\$calcSheet->Cell(\\\$rownum, 2) = \\\$integratedCN;        
        if (\\\$r == \\\$CNcutoff)
        {
            \\\$IntegratedCNsheet->Cell(\\\$counter-1,1) = \\\$integratedCN if abs(\\\$r-\\\$CNcutoff) <= 1E-10;
        }
    
    }
    
    # Some clean work    
    \\\$outRDFChart->Discard;
    \\\$outRDFChartAsStudyTable->Discard;
    \\\$tmpdoc->Discard;
    \\\$Framedoc->Discard;
    \\\$tmpStudyTable->Discard;
}    


however, I got following error:
Use of uninitialized value in addition (+) at -e line 85. 

which is:
 \\\$integratedRDF = \\\$integratedRDF + \\\$gr;

Use of uninitialized value in addition (+) at -e line 87.

which is:
\\\$integratedCN = \\\$integratedCN + \\\$CoordinateNumber;

I highlighted those two lines in the script, I also attached a test file, could you please help me out of this, thank you.

Regards,
Jing