Set default measure_heat=False
@@ -943,7 +943,7 @@ class LangevinIntegrator(ThermostatedIntegrator):
splitting="V R O R V",
constraint_tolerance=1e-8,
measure_shadow_work=False,
- measure_heat=True,
+ measure_heat=False,
):
"""Create a Langevin integrator with the prescribed operator splitting.
@@ -972,7 +972,7 @@ class LangevinIntegrator(ThermostatedIntegrator):
measure_shadow_work : boolean, default: False
Accumulate the shadow work performed by the symplectic substeps, in the global `shadow_work`
- measure_heat : boolean, default: True
+ measure_heat : boolean, default: False
Accumulate the heat exchanged with the bath in each step, in the global `heat`
"""
@@ -1630,7 +1630,7 @@ class AlchemicalNonequilibriumLangevinIntegrator(NonequilibriumLangevinIntegrato
measure_shadow_work : boolean, default: False
Accumulate the shadow work performed by the symplectic substeps, in the global `shadow_work`
- measure_heat : boolean, default: True
+ measure_heat : boolean, default: False
Accumulate the heat exchanged with the bath in each step, in the global `heat`
nsteps_neq : int, default: 100
@@ -1845,7 +1845,7 @@ class BAOABIntegrator(LangevinIntegrator):
measure_shadow_work : boolean, default: False
Accumulate the shadow work performed by the symplectic substeps, in the global `shadow_work`
- measure_heat : boolean, default: True
+ measure_heat : boolean, default: False
Accumulate the heat exchanged with the bath in each step, in the global `heat`
References
@@ -1890,7 +1890,7 @@ class GeodesicBAOABIntegrator(LangevinIntegrator):
measure_shadow_work : boolean, default: False
Accumulate the shadow work performed by the symplectic substeps, in the global `shadow_work`
- measure_heat : boolean, default: True
+ measure_heat : boolean, default: False
Accumulate the heat exchanged with the bath in each step, in the global `heat`
References
