mirror of
https://github.com/pfloos/quack
synced 2024-11-19 04:22:39 +01:00
18 lines
348 B
Bash
Executable File
18 lines
348 B
Bash
Executable File
#! /bin/bash
|
|
|
|
if [ $# -lt 2 ]
|
|
then
|
|
echo "At least 2 arguments required [Molecule] [Basis] [AuxBasis] !!"
|
|
fi
|
|
if [ $# = 2 ]
|
|
then
|
|
cp molecule."$1" ../input/molecule
|
|
cp basis."$1"."$2" ../input/basis
|
|
elif [ $# = 3 ]
|
|
then
|
|
cp molecule."$1" ../input/molecule
|
|
cp basis."$1"."$2" ../input/basis
|
|
cp auxbasis."$1"."$3" ../input/auxbasis
|
|
fi
|
|
|