from util.full import init

Z = [1.0, 17.0]
Rc = init([0.0, 0.0, 0.1337926])
Dtot = [0, 0, 0]
Daa = init(
    [
        [0.00000000, 0.00000000, -0.28357300],
        [0.15342658, 0.00000000, 0.12734703],
        [-0.15342658, 0.00000000, 0.12734703],
    ]
)
QUc = init([-7.31176220, 0.0, 0.0, -5.43243232, 0.0, -6.36258665])
QUN = init([4.38968295, 0.0, 0.0, 0.0, 0.0, 1.75400326])
QUaa = init(
    [
        [-3.29253618, 0.00000000, 0.00000000, -4.54316657, 0.00000000, -4.00465380],
        [-0.13213704, 0.00000000, 0.24980518, -0.44463288, 0.00000000, -0.26059139],
        [-0.13213704, 0.00000000, -0.24980518, -0.44463288, 0.00000000, -0.26059139],
    ]
)


Aa = init(
    [
        [3.87739525, 0.00018217, 3.00410918, 0.00010384, 0.00020122, 3.52546819],
        [2.15784091, 0.00023848, 1.05022368, 1.17177159, 0.00059985, 1.52065218],
        [2.15754005, 0.00023941, 1.05022240, -1.17157425, -0.00087738, 1.52065217],
    ]
)


Am = init(
    [[8.186766009140, 0.0, 0.0], [0.0, 5.102747935447, 0.0], [0.0, 0.0, 6.565131856389]]
)

Amw = init(
    [[11.98694996213, 0.0, 0.0], [0.0, 4.403583657738, 0.0], [0.0, 0.0, 2.835142058626]]
)

R = [
    [0.0000000000, 0.0000000000, 2.4082669737],
    [0.0000000000, 0.0000000000, 0.0000000000],
]
Qtot = -18.0

# These are string data for testing potential file
PAn0 = """AU
3 -1 0 1
1     0.000     0.000     0.698
1    -1.481     0.000    -0.349
1     1.481     0.000    -0.349
"""
PA00 = """AU
3 0 0 1
1     0.000     0.000     0.698    -0.703
1    -1.481     0.000    -0.349     0.352
1     1.481     0.000    -0.349     0.352
"""
PA10 = """AU
3 1 0 1
1     0.000     0.000     0.698    -0.703    -0.000     0.000    -0.284
1    -1.481     0.000    -0.349     0.352     0.153     0.000     0.127
1     1.481     0.000    -0.349     0.352    -0.153     0.000     0.127
"""
PA20 = """AU
3 2 0 1
1     0.000     0.000     0.698    -0.703    -0.000     0.000    -0.284    -3.293     0.000    -0.000    -4.543    -0.000    -4.005
1    -1.481     0.000    -0.349     0.352     0.153     0.000     0.127    -0.132     0.000     0.250    -0.445     0.000    -0.261
1     1.481     0.000    -0.349     0.352    -0.153     0.000     0.127    -0.132    -0.000    -0.250    -0.445     0.000    -0.261
"""
PA21 = """AU
3 2 1 1
1     0.000     0.000     0.698    -0.703    -0.000     0.000    -0.284    -3.293     0.000    -0.000    -4.543    -0.000    -4.005     3.466
1    -1.481     0.000    -0.349     0.352     0.153     0.000     0.127    -0.132     0.000     0.250    -0.445     0.000    -0.261     1.576
1     1.481     0.000    -0.349     0.352    -0.153     0.000     0.127    -0.132    -0.000    -0.250    -0.445     0.000    -0.261     1.576
"""
PA22 = """AU
3 2 2 1
1     0.000     0.000     0.698    -0.703    -0.000     0.000    -0.284    -3.293     0.000    -0.000    -4.543    -0.000    -4.005     3.875    -0.000    -0.000     3.000    -0.000     3.524
1    -1.481     0.000    -0.349     0.352     0.153     0.000     0.127    -0.132     0.000     0.250    -0.445     0.000    -0.261     2.156    -0.000     1.106     1.051    -0.000     1.520
1     1.481     0.000    -0.349     0.352    -0.153     0.000     0.127    -0.132    -0.000    -0.250    -0.445     0.000    -0.261     2.156    -0.000    -1.106     1.051    -0.000     1.520
"""

OUTPUT_n0_1 = """\
---------------
Atomic domain 1
---------------
Domain center:         0.00000  0.00000  0.69801
"""

OUTPUT_00_1 = (
    OUTPUT_n0_1
    + """\
Nuclear charge:        8.00000
Electronic charge:    -8.70344
Total charge:         -0.70344
"""
)

OUTPUT_10_1 = (
    OUTPUT_00_1
    + """\
Electronic dipole     -0.00000  0.00000 -0.28357
"""
)

OUTPUT_20_1 = (
    OUTPUT_10_1
    + """\
Electronic quadrupole -3.29254  0.00000 -0.00000 -4.54317  0.00000 -4.00466
"""
)

OUTPUT_01_1 = (
    OUTPUT_00_1
    + """\
Isotropic polarizablity (w=0)  3.46639
"""
)

OUTPUT_02_1 = (
    OUTPUT_00_1
    + """\
Electronic polarizability (w=0)  3.87468 -0.00000  3.00027 -0.00000 -0.00000  3.52422
"""
)
