
from itertools import product

from shell import get_shell4
from obara_saika import get_coulomb

za = 1.1
zb = 1.2
zc = 1.3
zd = 1.4

ra = [1.0, 0.0, 1.0]
rb = [0.0, 1.0, 2.0]
rc = [0.0, 0.0, 3.0]
rd = [0.0, 0.0, 4.0]

# get all integrals up to pppp
for p in product('01', repeat=4):
    for c in get_shell4(int(p[0]), int(p[1]), int(p[2]), int(p[3])):
        if sum(c) > 0:
            print (c, get_coulomb(za, zb, zc, zd, ra, rb, rc, rd, c))


from itertools import product

from shell import get_shell4
from obara_saika import get_coulomb


def main():
    za = 1.1
    zb = 1.2
    zc = 1.3
    zd = 1.4

    ra = [1.0, 0.0, 1.0]
    rb = [0.0, 1.0, 2.0]
    rc = [0.0, 0.0, 3.0]
    rd = [0.0, 0.0, 4.0]

    # get all integrals up to pppp
    for p in product('01', repeat=4):
        for c in get_shell4(int(p[0]), int(p[1]), int(p[2]), int(p[3])):
            if sum(c) > 0:
                print (c, get_coulomb(za, zb, zc, zd, ra, rb, rc, rd, c))


if __name__ == '__main__':
    main()

introduce main function