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Fix numpy / np
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jchodera committed Aug 4, 2016
1 parent 45cd7ba commit b9762ad
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion openmmtools/integrators.py
Original file line number Diff line number Diff line change
Expand Up @@ -584,7 +584,7 @@ def __init__(self, temperature=298.0 * simtk.unit.kelvin, collision_rate=91.0 /
# Integrator initialization.
#
self.addGlobalVariable("kT", kT) # thermal energy
self.addGlobalVariable("b", np.exp(-gamma * timestep)) # velocity mixing parameter
self.addGlobalVariable("b", numpy.exp(-gamma * timestep)) # velocity mixing parameter
self.addPerDofVariable("sigma", 0) # velocity standard deviation
self.addGlobalVariable("ke", 0) # kinetic energy
self.addPerDofVariable("vold", 0) # old velocities
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