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How to use the gsd.hoomd.BondData 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',
            'hpmc/ellipsoid/b',
            'hpmc/ellipsoid/c',
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',
            'hpmc/ellipsoid/b',
            'hpmc/ellipsoid/c',
            'hpmc/convex_polyhedron/N',
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',
            'hpmc/ellipsoid/b',
            'hpmc/ellipsoid/c',
            'hpmc/convex_polyhedron/N',
            'hpmc/convex_polyhedron/vertices',
            'hpmc/convex_spheropolyhedron/N',
            'hpmc/convex_spheropolyhedron/vertices',
            'hpmc/convex_spheropolyhedron/sweep_radius',
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',
            'hpmc/ellipsoid/b',
            'hpmc/ellipsoid/c',
            'hpmc/convex_polyhedron/N',
            'hpmc/convex_polyhedron/vertices',
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',
            'hpmc/ellipsoid/b',
            'hpmc/ellipsoid/c',
            'hpmc/convex_polyhedron/N',
            'hpmc/convex_polyhedron/vertices',
            'hpmc/convex_spheropolyhedron/N',

gsd

General simulation data file format.

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