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tsoc
openmm
Commits
8c0b4073
Commit
8c0b4073
authored
Feb 19, 2009
by
Mark Friedrichs
Browse files
RNG seed mods for LangevinIntegrator
parent
73f248e7
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
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platforms/cuda/src/CudaKernels.cpp
View file @
8c0b4073
...
@@ -414,6 +414,15 @@ CudaIntegrateLangevinStepKernel::~CudaIntegrateLangevinStepKernel() {
...
@@ -414,6 +414,15 @@ CudaIntegrateLangevinStepKernel::~CudaIntegrateLangevinStepKernel() {
void
CudaIntegrateLangevinStepKernel
::
initialize
(
const
System
&
system
,
const
LangevinIntegrator
&
integrator
)
{
void
CudaIntegrateLangevinStepKernel
::
initialize
(
const
System
&
system
,
const
LangevinIntegrator
&
integrator
)
{
initializeIntegration
(
system
,
data
,
integrator
);
initializeIntegration
(
system
,
data
,
integrator
);
// if LangevinIntegrator seed does not equal default value or is less than/equal to 0, then
// set gpu seed and redo random values
if
(
integrator
.
getRandomNumberSeed
()
<
1
){
_gpuContext
*
gpu
=
data
.
gpu
;
gpu
->
seed
=
static_cast
<
unsigned
long
>
(
integrator
.
getRandomNumberSeed
()
);
gpuInitializeRandoms
(
gpu
);
}
prevStepSize
=
-
1.0
;
prevStepSize
=
-
1.0
;
}
}
...
...
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