Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
aae25fd9
Commit
aae25fd9
authored
Nov 05, 2013
by
Peter
Browse files
Bug fix to benchmarking script
parent
be0b1ae3
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
2 additions
and
2 deletions
+2
-2
examples/benchmark.py
examples/benchmark.py
+2
-2
No files found.
examples/benchmark.py
View file @
aae25fd9
...
...
@@ -92,7 +92,7 @@ def runOneTest(testName, options):
# Run the simulation.
integ
=
mm
.
LangevinIntegrator
(
300
*
unit
.
kelvin
,
91
*
(
1
/
unit
.
picoseconds
),
dt
*
unit
.
femtoseconds
)
integ
=
mm
.
LangevinIntegrator
(
300
*
unit
.
kelvin
,
91
*
(
1
/
unit
.
picoseconds
),
dt
)
integ
.
setConstraintTolerance
(
1e-5
)
if
len
(
properties
)
>
0
:
context
=
mm
.
Context
(
system
,
integ
,
platform
,
properties
)
...
...
@@ -144,4 +144,4 @@ if options.test is None:
except
Exception
as
ex
:
print
(
'Test failed: %s'
%
ex
.
message
)
else
:
runOneTest
(
options
.
test
,
options
)
\ No newline at end of file
runOneTest
(
options
.
test
,
options
)
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment