INNER CODE UNIT · Python

main

Electrostatics/apbs · tools/python/main.py:250

def main():
    """ Main driver for testing.  Runs APBS on given input file """

    # Initialize the MALOC library
    startVio()

    # Initialize variables, arrays
    com = Vcom_ctor(1)
    rank = Vcom_rank(com)
    size = Vcom_size(com)
    mgparm = MGparm()
    pbeparm = PBEparm()
    mem = Vmem_ctor("Main")
    pbe = new_pbelist(NOSH_MAXMOL)
    pmg = new_pmglist(NOSH_MAXMOL)
    pmgp = new_pmgplist(NOSH_MAXMOL)
    realCenter = double_array(3)
    totEnergy = []

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