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change periodicity default
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chrisjonesBSU committed Oct 3, 2023
1 parent 6b4e33b commit 4a4e93a
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions hoomd_organics/library/surfaces.py
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@ class Graphene(Compound):
Number of times to repeat graphene lattice in the y-direciton
n_layers: int, optional, default 1
Number of times to repeat the complete layer in the normal direction
periodicity : tuple of bools, length=3, optional, default=None
periodicity : tuple of bools, length=3, optional, default=(True, True, False) # noqa: E501
Whether the Compound is periodic in the x, y, and z directions.
If None is provided, the periodicity is set to (False, False, False)
which is non-periodic in all directions.
Expand All @@ -27,7 +27,9 @@ class Graphene(Compound):
"""

def __init__(self, x_repeat, y_repeat, n_layers, periodicity=None):
def __init__(
self, x_repeat, y_repeat, n_layers, periodicity=(True, True, False)
):
super(Graphene, self).__init__(periodicity=periodicity)
spacings = [0.425, 0.246, 0.35]
points = [[1 / 6, 0, 0], [1 / 2, 0, 0], [0, 0.5, 0], [2 / 3, 1 / 2, 0]]
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