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How to use the gsd.hoomd.ConfigurationData function in gsd

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github glotzerlab / gsd / gsd / hoomd.py View on Github external
def __init__(self):
        self.configuration = ConfigurationData()
        self.particles = ParticleData()
        self.bonds = BondData(2)
        self.angles = BondData(3)
        self.dihedrals = BondData(4)
        self.impropers = BondData(4)
        self.constraints = ConstraintData()
        self.pairs = BondData(2)
        self.state = {}
        self.log = {}

        self._valid_state = [
            'hpmc/integrate/d',
            'hpmc/integrate/a',
            'hpmc/sphere/radius',
            'hpmc/sphere/orientable',
            'hpmc/ellipsoid/a',

gsd

General simulation data file format.

GitHub
BSD-2-Clause
Latest version published 2 months ago

Package Health Score

75 / 100
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