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
fe1ba843
Commit
fe1ba843
authored
Jun 21, 2016
by
peastman
Committed by
GitHub
Jun 21, 2016
Browse files
Merge pull request #1520 from peastman/mtserror
Fixed an exception with Python 3
parents
a3af2819
a2ef6f63
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
wrappers/python/simtk/openmm/mtsintegrator.py
wrappers/python/simtk/openmm/mtsintegrator.py
+1
-1
No files found.
wrappers/python/simtk/openmm/mtsintegrator.py
View file @
fe1ba843
...
@@ -90,7 +90,7 @@ class MTSIntegrator(CustomIntegrator):
...
@@ -90,7 +90,7 @@ class MTSIntegrator(CustomIntegrator):
def
_createSubsteps
(
self
,
parentSubsteps
,
groups
):
def
_createSubsteps
(
self
,
parentSubsteps
,
groups
):
group
,
substeps
=
groups
[
0
]
group
,
substeps
=
groups
[
0
]
stepsPerParentStep
=
substeps
/
parentSubsteps
stepsPerParentStep
=
substeps
/
/
parentSubsteps
if
stepsPerParentStep
<
1
or
stepsPerParentStep
!=
int
(
stepsPerParentStep
):
if
stepsPerParentStep
<
1
or
stepsPerParentStep
!=
int
(
stepsPerParentStep
):
raise
ValueError
(
"The number for substeps for each group must be a multiple of the number for the previous group"
)
raise
ValueError
(
"The number for substeps for each group must be a multiple of the number for the previous group"
)
if
group
<
0
or
group
>
31
:
if
group
<
0
or
group
>
31
:
...
...
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