mirror of
https://github.com/pfloos/quack
synced 2024-11-05 05:33:50 +01:00
18 lines
348 B
Plaintext
18 lines
348 B
Plaintext
|
#! /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
|
||
|
|