mirror of
https://github.com/pfloos/quack
synced 2024-11-05 13:43:51 +01:00
5 lines
99 B
Plaintext
5 lines
99 B
Plaintext
|
#! /bin/bash
|
||
|
|
|
||
|
|
cd int
|
||
|
|
../utils/QCaml/run_integrals -b ../input/basis.qcaml -x ../input/molecule.xyz
|