use strict; 

# Find the lowest-energy geometry 

# Prepare array EDRvars0 containg the EDR at each u from that geometrr
+y 

open(F,">results.txt");
print F "# Bond_length Delocalization_length EDR \n";

# Loop over all log files 
foreach my $f (<*log>){
    my $c=`grep -c "Normal term" $f`; chomp($c); # Avoid files that do
+dn't converge 
    if($c>0){

        # Find the bond length. We assume this is built into the file 
+name 
        my $R = $f;
        $R=~s/.log//;
        $R=~s/.*_//;

        # Find the U valnes 
        my $Ustr = `grep -A37 "EDR alpha" $f | tail -n35|awk "{print \
+\\$3}"`;
        my @Uvars = split(/\n/,$Ustr); # Convert them into an array 
        my $NU = scalar(@Uvars); # That array has $NU elements 

        # Find the <EDR(u)> and sum alpha and beta 
        my $EDRstr = `grep -A37 "EDR alpha" $f | tail -n35|awk "{print
+ \\\$4+\\\$5}"`;
        my @EDRvars = split(/\n/,$EDRstr);

        # Print the outputs 
        foreach my $i(0..$NU-1){
            print F sprintf("%8.3E %12.6E %12.6E\n",$R,$Uvars[$i],$EDR
+vars[$i]);
        }
        
    }
}
close(F);