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Fixed the last (?) error in the tests
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ceriottm committed Nov 12, 2024
1 parent cc05061 commit 651c3ca
Showing 1 changed file with 6 additions and 4 deletions.
10 changes: 6 additions & 4 deletions ipi/engine/forcefields.py
Original file line number Diff line number Diff line change
Expand Up @@ -459,12 +459,14 @@ class FFLennardJones(FFEval):

def __init__(
self,
latency=1.0e-3,
latency=1.0,
offset=0.0,
name="",
pars=None,
dopbc=False,
threaded=False,
dopbc=True,
active=np.array([-1]),
threaded=True,
interface=None,
):
"""Initialises FFLennardJones.
Expand All @@ -480,7 +482,7 @@ def __init__(

# a socket to the communication library is created or linked
super(FFLennardJones, self).__init__(
latency, offset, name, pars, dopbc=dopbc, threaded=threaded
latency, offset, name, pars, dopbc=dopbc, threaded=threaded, active=active
)
self.epsfour = float(self.pars["eps"]) * 4
self.sixepsfour = 6 * self.epsfour
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