4
1
mirror of https://github.com/pfloos/quack synced 2024-06-29 08:24:53 +02:00
quack/GoQCaml

5 lines
99 B
Plaintext
Raw Normal View History

2020-01-17 15:31:38 +01:00
#! /bin/bash
cd int
../utils/QCaml/run_integrals -b ../input/basis.qcaml -x ../input/molecule.xyz