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tsoc
openmm
Commits
1d88314e
Commit
1d88314e
authored
Feb 04, 2020
by
Peter Eastman
Browse files
Fixed inconsistency between plaforms in constraints with CustomIntegrator
parent
ff555815
Changes
1
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platforms/common/src/CommonKernels.cpp
platforms/common/src/CommonKernels.cpp
+1
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platforms/common/src/CommonKernels.cpp
View file @
1d88314e
...
...
@@ -6265,10 +6265,8 @@ void CommonIntegrateCustomStepKernel::prepareForComputation(ContextImpl& context
for
(
int
step
=
numSteps
-
1
;
step
>=
0
;
step
--
)
{
if
(
stepType
[
step
]
==
CustomIntegrator
::
ConstrainPositions
)
beforeConstrain
=
true
;
else
if
(
stepType
[
step
]
==
CustomIntegrator
::
ComputePerDof
&&
variable
[
step
]
==
"x"
&&
beforeConstrain
)
{
else
if
(
stepType
[
step
]
==
CustomIntegrator
::
ComputePerDof
&&
variable
[
step
]
==
"x"
&&
beforeConstrain
)
storePosAsDelta
[
step
]
=
true
;
beforeConstrain
=
false
;
}
}
bool
storedAsDelta
=
false
;
for
(
int
step
=
0
;
step
<
numSteps
;
step
++
)
{
...
...
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