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tsoc
openmm
Commits
641de894
"libraries/validate/include/ValidateOpenMM.h" did not exist on "4cbb82d4d56ceb449ac627039b3d525170ef84d8"
Commit
641de894
authored
Feb 18, 2009
by
Mark Friedrichs
Browse files
Added code to get/set random number generator seed
parent
0b4066cf
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openmmapi/include/LangevinIntegrator.h
openmmapi/include/LangevinIntegrator.h
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openmmapi/include/LangevinIntegrator.h
View file @
641de894
...
...
@@ -78,6 +78,18 @@ public:
void
setFriction
(
double
coeff
)
{
friction
=
coeff
;
}
/**
* Get the random number seed
*/
int
getRandomNumberSeed
(
void
)
const
{
return
randomNumberSeed
;
}
/**
* Set the random number seed
*/
void
setRandomNumberSeed
(
int
inputRandomNumberSeed
)
{
randomNumberSeed
=
inputRandomNumberSeed
;
}
/**
* Advance a simulation through time by taking a series of time steps.
*
...
...
@@ -97,6 +109,7 @@ protected:
std
::
vector
<
std
::
string
>
getKernelNames
();
private:
double
temperature
,
friction
;
int
randomNumberSeed
;
OpenMMContextImpl
*
context
;
Kernel
kernel
;
};
...
...
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