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tsoc
openmm
Commits
a2ef6f63
"openmmapi/vscode:/vscode.git/clone" did not exist on "6bf994397a535baada58cb28f852ffec1657f086"
Commit
a2ef6f63
authored
Jun 21, 2016
by
peastman
Browse files
Fixed an exception with Python 3
parent
a3af2819
Changes
1
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wrappers/python/simtk/openmm/mtsintegrator.py
wrappers/python/simtk/openmm/mtsintegrator.py
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wrappers/python/simtk/openmm/mtsintegrator.py
View file @
a2ef6f63
...
@@ -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
:
...
...
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