mirror of
https://github.com/pfloos/quack
synced 2024-08-28 23:32:04 +02:00
18 lines
272 B
Bash
Executable File
18 lines
272 B
Bash
Executable File
#! /bin/bash
|
|
|
|
set -e
|
|
|
|
if [ $# -ne 2 ]
|
|
then
|
|
echo "You need two arguments [Molecule] [Basis] !!"
|
|
fi
|
|
|
|
if [ $# = 2 ]
|
|
then
|
|
cp examples/molecule."$1" input/molecule
|
|
cp examples/basis."$1"."$2" input/basis
|
|
cp examples/basis."$1"."$2" input/weight
|
|
./bin/IntPak
|
|
fi
|
|
|