#!/usr/bin/env perl
use FindBin qw($Bin);
use lib "$Bin";

$Options::usageString = "[Output Directory]";
$Options::docString = 
'This script finds the ICHAIN tag from the OUTCAR and cleans up the run
directory accordingly. All relevant files (POSCAR, CONTCAR, OUTCAR
(zipped), INCAR, KPOINTS, XDATCAR (zipped), CHGCAR and WAVECAR if the 
are non-empty) are copied to [Output Directory]. In the run directory
CONTCARs are moved over POSCARs in preparation for a new run.';
use Options;
my %options = &Options::parseOptions("h");
&Options::usage("No [Output Directory] given.") if @ARGV < 1;
$dir = $ARGV[0];
if ((-d $dir) || (-e $dir)) {
    die "$dir already exists\n";
}

# Check to see if there is an OUTCAR and read the ICHAIN variable from it
if (-e "OUTCAR") {
    $_ = `head -1000 OUTCAR | grep -i ICHAIN `;
} elsif (-e "01/OUTCAR") {
    $_ = `head -1000 01/OUTCAR | grep -i ICHAIN `;
} else {
    die "No OUTCAR found !!! \n";
}
@s = split /\s+/, $_;
$ichain = $s[4];

mkdir $dir, 0755;

# Clean up the run
if ($ichain == 0) {
# If there is a 00 directory then this is a NEB run
    if (-e "00") {
        system "$Bin/nebclean.sh $dir";
    } else {
        system "$Bin/vclean.sh $dir";
    }
} elsif ($ichain == 1) {
    system "$Bin/dymclean.sh $dir";
} elsif ($ichain == 2) {
    if((-e "MODECAR") && !(-e "01") && !(-e "02")) {
        system "$Bin/dimclean.sh $dir";
    } elsif((-e "01") && (-e "02")) {
        system "$Bin/dimclean2.sh $dir";
    }
} elsif ($ichain == 3) {
    system "$Bin/lanclean.sh $dir";
} elsif ($ichain == 4) {
    system "$Bin/insclean.sh $dir";
}