mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
7 lines
131 B
Bash
Executable File
7 lines
131 B
Bash
Executable File
#! /bin/bash
|
|
|
|
cp ./methods.test ../input/methods
|
|
cp ./options.test ../input/options
|
|
cd ..
|
|
python3 PyDuck.py -x water -b 6-31g -m 1
|