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tsoc
openmm
Commits
6c159d06
Commit
6c159d06
authored
Jan 09, 2012
by
Peter Eastman
Browse files
Made it easier to stop a simulation by pressing control-c
parent
01726081
Changes
1
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1 changed file
with
5 additions
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1 deletion
+5
-1
wrappers/python/simtk/openmm/app/simulation.py
wrappers/python/simtk/openmm/app/simulation.py
+5
-1
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wrappers/python/simtk/openmm/app/simulation.py
View file @
6c159d06
...
@@ -67,7 +67,11 @@ class Simulation(object):
...
@@ -67,7 +67,11 @@ class Simulation(object):
if
nextReport
[
i
][
0
]
>
0
and
nextReport
[
i
][
0
]
<=
nextSteps
:
if
nextReport
[
i
][
0
]
>
0
and
nextReport
[
i
][
0
]
<=
nextSteps
:
nextSteps
=
nextReport
[
i
][
0
]
nextSteps
=
nextReport
[
i
][
0
]
anyReport
=
True
anyReport
=
True
self
.
integrator
.
step
(
nextSteps
)
stepsToGo
=
nextSteps
while
stepsToGo
>
10
:
self
.
integrator
.
step
(
10
)
# Only take 10 steps at a time, to give Python more chances to respond to a control-c.
stepsToGo
-=
10
self
.
integrator
.
step
(
stepsToGo
)
self
.
currentStep
+=
nextSteps
self
.
currentStep
+=
nextSteps
if
anyReport
:
if
anyReport
:
getPositions
=
False
getPositions
=
False
...
...
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