/usr/share/votca/scripts/inverse/apply_prefactor.pl is in votca-csg-scripts 1.2.4-1.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 | #! /usr/bin/perl -w
#
# Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#
use strict;
$_=$0;
s#^.*/##;
my $progname=$_;
my $usage="Usage: $progname [OPTIONS] <in> <out>";
# read program arguments
while ((defined ($ARGV[0])) and ($ARGV[0] =~ /^-./))
{
if (($ARGV[0] !~ /^--/) and (length($ARGV[0])>2)){
$_=shift(@ARGV);
#short opt having agruments examples fo
if ( $_ =~ /^-[fo]/ ) {
unshift(@ARGV,substr($_,0,2),substr($_,2));
}
else{
unshift(@ARGV,substr($_,0,2),"-".substr($_,2));
}
}
if (($ARGV[0] eq "-h") or ($ARGV[0] eq "--help"))
{
print <<END;
This script calculates the integral of a table
$usage
Allowed options:
-h, --help Show this help message
END
exit;
}
else
{
die "Unknow option '".$ARGV[0]."' !\n";
}
}
#Print usage
die "no files given\n$usage\n" unless $#ARGV > 0;
use CsgFunctions;
my $do_interpolate = 0;
my $infile="$ARGV[0]";
my @r;
my @val;
my @flag;
my $comments;
(readin_table($infile,@r,@val,@flag,$comments)) || die "$progname: error at readin_table\n";
my $outfile="$ARGV[1]";
my @out;
my $prefactor="$ARGV[2]";
my $prefactor_cg = 0;
if (defined $ARGV[3]){
$prefactor_cg = "$ARGV[3]";
$do_interpolate = 1;
}
my $min = 0;
my $i=0;
for (;$i<=$#r;$i++){
$out[$i]=$val[$i];
}
if (!$do_interpolate){
for ($i=0;$i<=$#r;$i++){
# just multiply
$out[$i]=$out[$i]*$prefactor;
}
}
else
{
for ($i=0;$i<=$#r;$i++){
# do a linear interpoltation between the prefactors
$out[$i]=$i/$#r*$out[$i]*$prefactor_cg+(1-$i/$#r)*$out[$i]*$prefactor;
}
}
saveto_table($outfile,@r,@out,@flag,$comments) || die "$progname: error at save table\n";
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