Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scatte
+ring
activities (A**4/AMU), depolarization ratios for plane and unpolarize
+d
incident light, reduced masses (AMU), force constants (mDyne/A),
and normal coordinates:
1 2 3
A A A
atom -- 23.5214 40.9023 56.78
+56
Red. masses -- 6.7793 1.0546 5.56
+74
Frc consts -- 0.0022 0.0010 0.01
+06
IR Inten -- 2.4504 0.2236 0.61
+52
New version:
#!/usr/bin/env perl
use strict;
use warnings;
use File::Path qw/make_path/;
use Cwd;
my $dir = cwd();
opendir (my $dh, $dir) or die "Unable to open current directory! $!\n"
+;
my @subdirs = grep { /^\.\.?\z/ } readdir($dh) or die "Unable to read
+directory! $!\n";
closedir $dh;
my $result_path = "$dir/results";
make_path("$result_path");
for my $subdir ( sort @subdirs ) {
chdir($dir);
next unless -d $subdir;
make_path("$result_path/$subdir");
my $search_text1 = qr/atom/;
my $infile1="$subdir/input.txt";
my $in_fh1;
if (!open $in_fh1, '<', $infile1) {
goto NEXT if $!{ENOENT};
die qq{Failed to open "$infile1" for reading: $!};
}
my $outfile1="$result_path/output";
open $in_fh1, '<', $infile1 or die qq{Failed to open "$infile1" f
+or writing: $!};
open my $out_fh1, '>', $outfile1 or die qq{Failed to open "$outfil
+e1" for writing: $!};
while (<$in_fh1>) {
next unless /$search_text1/;
my @fields1 = split;
print $out_fh1 join("\t", @fields1[1]), "\n";
}
close($in_fh1);
close($out_fh1);
NEXT:
chdir("..");
}
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