quack/GoHu

mirror of https://github.com/pfloos/quack synced 2024-12-22 04:14:26 +01:00
#! /bin/bash

cp input/molecule.Hu input/molecule
cp input/basis.Hu    input/basis
cp int/ERI.Hu.dat    int/ERI.dat
cp int/Kin.Hu.dat    int/Kin.dat
cp int/Nuc.Hu.dat    int/Nuc.dat
cp int/Ov.Hu.dat     int/Ov.dat
./bin/QuAcK
making Hubbard works 2021-10-15 19:30:00 +02:00			`#! /bin/bash`

OK for Hubbard 2021-10-15 21:01:56 +02:00			`cp input/molecule.Hu input/molecule`
			`cp input/basis.Hu input/basis`
			`cp int/ERI.Hu.dat int/ERI.dat`
			`cp int/Kin.Hu.dat int/Kin.dat`
			`cp int/Nuc.Hu.dat int/Nuc.dat`
			`cp int/Ov.Hu.dat int/Ov.dat`
making Hubbard works 2021-10-15 19:30:00 +02:00			`./bin/QuAcK`