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tsoc
openmm
Commits
0a38a824
Commit
0a38a824
authored
Nov 12, 2009
by
Mark Friedrichs
Browse files
Set private entries for integrators
parent
0d29e962
Changes
1
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platforms/cuda/src/CudaKernels.h
platforms/cuda/src/CudaKernels.h
+11
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platforms/cuda/src/CudaKernels.h
View file @
0a38a824
...
@@ -428,6 +428,7 @@ private:
...
@@ -428,6 +428,7 @@ private:
class
CudaIntegrateVerletStepKernel
:
public
IntegrateVerletStepKernel
{
class
CudaIntegrateVerletStepKernel
:
public
IntegrateVerletStepKernel
{
public:
public:
CudaIntegrateVerletStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateVerletStepKernel
(
name
,
platform
),
data
(
data
)
{
CudaIntegrateVerletStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateVerletStepKernel
(
name
,
platform
),
data
(
data
)
{
prevStepSize
=
-
1.0
;
}
}
~
CudaIntegrateVerletStepKernel
();
~
CudaIntegrateVerletStepKernel
();
/**
/**
...
@@ -485,6 +486,9 @@ private:
...
@@ -485,6 +486,9 @@ private:
class
CudaIntegrateBrownianStepKernel
:
public
IntegrateBrownianStepKernel
{
class
CudaIntegrateBrownianStepKernel
:
public
IntegrateBrownianStepKernel
{
public:
public:
CudaIntegrateBrownianStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateBrownianStepKernel
(
name
,
platform
),
data
(
data
)
{
CudaIntegrateBrownianStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateBrownianStepKernel
(
name
,
platform
),
data
(
data
)
{
prevTemp
=
-
1.0
;
prevFriction
=
-
1.0
;
prevStepSize
=
-
1.0
;
}
}
~
CudaIntegrateBrownianStepKernel
();
~
CudaIntegrateBrownianStepKernel
();
/**
/**
...
@@ -512,6 +516,7 @@ private:
...
@@ -512,6 +516,7 @@ private:
class
CudaIntegrateVariableVerletStepKernel
:
public
IntegrateVariableVerletStepKernel
{
class
CudaIntegrateVariableVerletStepKernel
:
public
IntegrateVariableVerletStepKernel
{
public:
public:
CudaIntegrateVariableVerletStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateVariableVerletStepKernel
(
name
,
platform
),
data
(
data
)
{
CudaIntegrateVariableVerletStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateVariableVerletStepKernel
(
name
,
platform
),
data
(
data
)
{
prevErrorTol
=
-
1.0
;
}
}
~
CudaIntegrateVariableVerletStepKernel
();
~
CudaIntegrateVariableVerletStepKernel
();
/**
/**
...
@@ -540,6 +545,9 @@ private:
...
@@ -540,6 +545,9 @@ private:
class
CudaIntegrateVariableLangevinStepKernel
:
public
IntegrateVariableLangevinStepKernel
{
class
CudaIntegrateVariableLangevinStepKernel
:
public
IntegrateVariableLangevinStepKernel
{
public:
public:
CudaIntegrateVariableLangevinStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateVariableLangevinStepKernel
(
name
,
platform
),
data
(
data
)
{
CudaIntegrateVariableLangevinStepKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
IntegrateVariableLangevinStepKernel
(
name
,
platform
),
data
(
data
)
{
prevTemp
=
-
1.0
;
prevFriction
=
-
1.0
;
prevErrorTol
=
-
1.0
;
}
}
~
CudaIntegrateVariableLangevinStepKernel
();
~
CudaIntegrateVariableLangevinStepKernel
();
/**
/**
...
@@ -568,6 +576,9 @@ private:
...
@@ -568,6 +576,9 @@ private:
class
CudaApplyAndersenThermostatKernel
:
public
ApplyAndersenThermostatKernel
{
class
CudaApplyAndersenThermostatKernel
:
public
ApplyAndersenThermostatKernel
{
public:
public:
CudaApplyAndersenThermostatKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
ApplyAndersenThermostatKernel
(
name
,
platform
),
data
(
data
)
{
CudaApplyAndersenThermostatKernel
(
std
::
string
name
,
const
Platform
&
platform
,
CudaPlatform
::
PlatformData
&
data
)
:
ApplyAndersenThermostatKernel
(
name
,
platform
),
data
(
data
)
{
prevTemp
=
-
1.0
;
prevFrequency
=
-
1.0
;
prevStepSize
=
-
1.0
;
}
}
~
CudaApplyAndersenThermostatKernel
();
~
CudaApplyAndersenThermostatKernel
();
/**
/**
...
...
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