#!/usr/bin/perl use strict; use warnings; use diagnostics; #my $source = "./CONTCAR"; #my $destination = "./OUTPUT"; # #open(IN, '<', $source) or die "Couldn't open $source: $!\n"; #open(OUT, '>', $destination) or die "Couldn't write to $destination: $!\n"; my @data = map [ split ], grep /\S/, ; foreach (@data) { print "@$_\n"; } for my $i (0 .. $#data-1) { for my $j ($i+1 .. $#data) { # next if $i == $j; my @coords_i = @{$data[$i]}[0,1,2]; my @coords_j = @{$data[$j]}[0,1,2]; # printf OUT "%s to %s Distance=%.5f\n", printf "(%s,%s) to (%s,%s) Distance=%.5f\n", $data[$i][0], $data[$j][0], $data[$i][2], $data[$j][2], distance(\@coords_i, \@coords_j); } } sub distance { my ($aa, $bb) = @_; my ($x, $y, $z) = map { $aa->[$_] - $bb->[$_] } 0 .. $#$aa; return sqrt($x**2 + $y**2 + $z**2); } # close IN; # close OUT; # print "Done.\n"; exit; __DATA__ 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5