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