Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
c24c619e
Unverified
Commit
c24c619e
authored
Nov 06, 2025
by
Peter Eastman
Committed by
GitHub
Nov 06, 2025
Browse files
Code cleanup (#5127)
parent
b1a5324c
Changes
80
Show whitespace changes
Inline
Side-by-side
Showing
20 changed files
with
28 additions
and
74 deletions
+28
-74
openmmapi/src/CustomCPPForceImpl.cpp
openmmapi/src/CustomCPPForceImpl.cpp
+1
-3
openmmapi/src/CustomCVForceImpl.cpp
openmmapi/src/CustomCVForceImpl.cpp
+1
-3
openmmapi/src/CustomCentroidBondForceImpl.cpp
openmmapi/src/CustomCentroidBondForceImpl.cpp
+1
-3
openmmapi/src/CustomCompoundBondForceImpl.cpp
openmmapi/src/CustomCompoundBondForceImpl.cpp
+1
-3
openmmapi/src/CustomExternalForceImpl.cpp
openmmapi/src/CustomExternalForceImpl.cpp
+1
-3
openmmapi/src/CustomGBForceImpl.cpp
openmmapi/src/CustomGBForceImpl.cpp
+1
-3
openmmapi/src/CustomHbondForceImpl.cpp
openmmapi/src/CustomHbondForceImpl.cpp
+1
-3
openmmapi/src/CustomIntegrator.cpp
openmmapi/src/CustomIntegrator.cpp
+1
-3
openmmapi/src/CustomManyParticleForceImpl.cpp
openmmapi/src/CustomManyParticleForceImpl.cpp
+1
-3
openmmapi/src/CustomNonbondedForceImpl.cpp
openmmapi/src/CustomNonbondedForceImpl.cpp
+1
-3
openmmapi/src/CustomTorsionForceImpl.cpp
openmmapi/src/CustomTorsionForceImpl.cpp
+1
-3
openmmapi/src/DPDIntegrator.cpp
openmmapi/src/DPDIntegrator.cpp
+1
-3
openmmapi/src/GBSAOBCForceImpl.cpp
openmmapi/src/GBSAOBCForceImpl.cpp
+1
-3
openmmapi/src/GayBerneForceImpl.cpp
openmmapi/src/GayBerneForceImpl.cpp
+1
-3
openmmapi/src/HarmonicAngleForceImpl.cpp
openmmapi/src/HarmonicAngleForceImpl.cpp
+1
-3
openmmapi/src/HarmonicBondForceImpl.cpp
openmmapi/src/HarmonicBondForceImpl.cpp
+1
-3
openmmapi/src/LangevinMiddleIntegrator.cpp
openmmapi/src/LangevinMiddleIntegrator.cpp
+1
-3
openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp
openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp
+5
-9
openmmapi/src/MonteCarloBarostatImpl.cpp
openmmapi/src/MonteCarloBarostatImpl.cpp
+3
-7
openmmapi/src/MonteCarloFlexibleBarostatImpl.cpp
openmmapi/src/MonteCarloFlexibleBarostatImpl.cpp
+3
-7
No files found.
openmmapi/src/CustomCPPForceImpl.cpp
View file @
c24c619e
...
@@ -50,7 +50,5 @@ double CustomCPPForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includ
...
@@ -50,7 +50,5 @@ double CustomCPPForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includ
}
}
vector
<
string
>
CustomCPPForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomCPPForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomCPPForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomCPPForceKernel
::
Name
());
return
names
;
}
}
openmmapi/src/CustomCVForceImpl.cpp
View file @
c24c619e
...
@@ -85,9 +85,7 @@ double CustomCVForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
...
@@ -85,9 +85,7 @@ double CustomCVForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
}
}
vector
<
string
>
CustomCVForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomCVForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomCVForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomCVForceKernel
::
Name
());
return
names
;
}
}
vector
<
pair
<
int
,
int
>
>
CustomCVForceImpl
::
getBondedParticles
()
const
{
vector
<
pair
<
int
,
int
>
>
CustomCVForceImpl
::
getBondedParticles
()
const
{
...
...
openmmapi/src/CustomCentroidBondForceImpl.cpp
View file @
c24c619e
...
@@ -125,9 +125,7 @@ double CustomCentroidBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
...
@@ -125,9 +125,7 @@ double CustomCentroidBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
}
}
vector
<
string
>
CustomCentroidBondForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomCentroidBondForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomCentroidBondForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomCentroidBondForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomCentroidBondForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomCentroidBondForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomCompoundBondForceImpl.cpp
View file @
c24c619e
...
@@ -111,9 +111,7 @@ double CustomCompoundBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
...
@@ -111,9 +111,7 @@ double CustomCompoundBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
}
}
vector
<
string
>
CustomCompoundBondForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomCompoundBondForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomCompoundBondForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomCompoundBondForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomCompoundBondForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomCompoundBondForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomExternalForceImpl.cpp
View file @
c24c619e
...
@@ -82,9 +82,7 @@ double CustomExternalForceImpl::calcForcesAndEnergy(ContextImpl& context, bool i
...
@@ -82,9 +82,7 @@ double CustomExternalForceImpl::calcForcesAndEnergy(ContextImpl& context, bool i
}
}
vector
<
string
>
CustomExternalForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomExternalForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomExternalForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomExternalForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomExternalForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomExternalForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomGBForceImpl.cpp
View file @
c24c619e
...
@@ -112,9 +112,7 @@ double CustomGBForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
...
@@ -112,9 +112,7 @@ double CustomGBForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
}
}
vector
<
string
>
CustomGBForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomGBForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomGBForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomGBForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomGBForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomGBForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomHbondForceImpl.cpp
View file @
c24c619e
...
@@ -185,9 +185,7 @@ double CustomHbondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl
...
@@ -185,9 +185,7 @@ double CustomHbondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl
}
}
vector
<
string
>
CustomHbondForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomHbondForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomHbondForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomHbondForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomHbondForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomHbondForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomIntegrator.cpp
View file @
c24c619e
...
@@ -98,9 +98,7 @@ void CustomIntegrator::stateChanged(State::DataType changed) {
...
@@ -98,9 +98,7 @@ void CustomIntegrator::stateChanged(State::DataType changed) {
}
}
vector
<
string
>
CustomIntegrator
::
getKernelNames
()
{
vector
<
string
>
CustomIntegrator
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
IntegrateCustomStepKernel
::
Name
()};
names
.
push_back
(
IntegrateCustomStepKernel
::
Name
());
return
names
;
}
}
double
CustomIntegrator
::
computeKineticEnergy
()
{
double
CustomIntegrator
::
computeKineticEnergy
()
{
...
...
openmmapi/src/CustomManyParticleForceImpl.cpp
View file @
c24c619e
...
@@ -141,9 +141,7 @@ double CustomManyParticleForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
...
@@ -141,9 +141,7 @@ double CustomManyParticleForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
}
}
vector
<
string
>
CustomManyParticleForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomManyParticleForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomManyParticleForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomManyParticleForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomManyParticleForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomManyParticleForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomNonbondedForceImpl.cpp
View file @
c24c619e
...
@@ -145,9 +145,7 @@ double CustomNonbondedForceImpl::calcForcesAndEnergy(ContextImpl& context, bool
...
@@ -145,9 +145,7 @@ double CustomNonbondedForceImpl::calcForcesAndEnergy(ContextImpl& context, bool
}
}
vector
<
string
>
CustomNonbondedForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomNonbondedForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomNonbondedForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomNonbondedForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomNonbondedForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomNonbondedForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/CustomTorsionForceImpl.cpp
View file @
c24c619e
...
@@ -84,9 +84,7 @@ double CustomTorsionForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in
...
@@ -84,9 +84,7 @@ double CustomTorsionForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in
}
}
vector
<
string
>
CustomTorsionForceImpl
::
getKernelNames
()
{
vector
<
string
>
CustomTorsionForceImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
CalcCustomTorsionForceKernel
::
Name
()};
names
.
push_back
(
CalcCustomTorsionForceKernel
::
Name
());
return
names
;
}
}
map
<
string
,
double
>
CustomTorsionForceImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
CustomTorsionForceImpl
::
getDefaultParameters
()
{
...
...
openmmapi/src/DPDIntegrator.cpp
View file @
c24c619e
...
@@ -114,9 +114,7 @@ void DPDIntegrator::cleanup() {
...
@@ -114,9 +114,7 @@ void DPDIntegrator::cleanup() {
}
}
vector
<
string
>
DPDIntegrator
::
getKernelNames
()
{
vector
<
string
>
DPDIntegrator
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
names
;
return
{
IntegrateDPDStepKernel
::
Name
()};
names
.
push_back
(
IntegrateDPDStepKernel
::
Name
());
return
names
;
}
}
double
DPDIntegrator
::
computeKineticEnergy
()
{
double
DPDIntegrator
::
computeKineticEnergy
()
{
...
...
openmmapi/src/GBSAOBCForceImpl.cpp
View file @
c24c619e
...
@@ -70,9 +70,7 @@ double GBSAOBCForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeF
...
@@ -70,9 +70,7 @@ double GBSAOBCForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeF
}
}
std
::
vector
<
std
::
string
>
GBSAOBCForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
GBSAOBCForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
names
;
return
{
CalcGBSAOBCForceKernel
::
Name
()};
names
.
push_back
(
CalcGBSAOBCForceKernel
::
Name
());
return
names
;
}
}
void
GBSAOBCForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
GBSAOBCForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
...
...
openmmapi/src/GayBerneForceImpl.cpp
View file @
c24c619e
...
@@ -127,9 +127,7 @@ double GayBerneForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
...
@@ -127,9 +127,7 @@ double GayBerneForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
}
}
std
::
vector
<
std
::
string
>
GayBerneForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
GayBerneForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
names
;
return
{
CalcGayBerneForceKernel
::
Name
()};
names
.
push_back
(
CalcGayBerneForceKernel
::
Name
());
return
names
;
}
}
void
GayBerneForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
GayBerneForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
...
...
openmmapi/src/HarmonicAngleForceImpl.cpp
View file @
c24c619e
...
@@ -75,9 +75,7 @@ double HarmonicAngleForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in
...
@@ -75,9 +75,7 @@ double HarmonicAngleForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in
}
}
std
::
vector
<
std
::
string
>
HarmonicAngleForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
HarmonicAngleForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
names
;
return
{
CalcHarmonicAngleForceKernel
::
Name
()};
names
.
push_back
(
CalcHarmonicAngleForceKernel
::
Name
());
return
names
;
}
}
void
HarmonicAngleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
,
int
firstAngle
,
int
lastAngle
)
{
void
HarmonicAngleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
,
int
firstAngle
,
int
lastAngle
)
{
...
...
openmmapi/src/HarmonicBondForceImpl.cpp
View file @
c24c619e
...
@@ -71,9 +71,7 @@ double HarmonicBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool inc
...
@@ -71,9 +71,7 @@ double HarmonicBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool inc
}
}
std
::
vector
<
std
::
string
>
HarmonicBondForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
HarmonicBondForceImpl
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
names
;
return
{
CalcHarmonicBondForceKernel
::
Name
()};
names
.
push_back
(
CalcHarmonicBondForceKernel
::
Name
());
return
names
;
}
}
vector
<
pair
<
int
,
int
>
>
HarmonicBondForceImpl
::
getBondedParticles
()
const
{
vector
<
pair
<
int
,
int
>
>
HarmonicBondForceImpl
::
getBondedParticles
()
const
{
...
...
openmmapi/src/LangevinMiddleIntegrator.cpp
View file @
c24c619e
...
@@ -72,9 +72,7 @@ void LangevinMiddleIntegrator::cleanup() {
...
@@ -72,9 +72,7 @@ void LangevinMiddleIntegrator::cleanup() {
}
}
vector
<
string
>
LangevinMiddleIntegrator
::
getKernelNames
()
{
vector
<
string
>
LangevinMiddleIntegrator
::
getKernelNames
()
{
std
::
vector
<
std
::
string
>
names
;
return
{
IntegrateLangevinMiddleStepKernel
::
Name
()};
names
.
push_back
(
IntegrateLangevinMiddleStepKernel
::
Name
());
return
names
;
}
}
double
LangevinMiddleIntegrator
::
computeKineticEnergy
()
{
double
LangevinMiddleIntegrator
::
computeKineticEnergy
()
{
...
...
openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp
View file @
c24c619e
...
@@ -142,18 +142,14 @@ void MonteCarloAnisotropicBarostatImpl::updateContextState(ContextImpl& context,
...
@@ -142,18 +142,14 @@ void MonteCarloAnisotropicBarostatImpl::updateContextState(ContextImpl& context,
}
}
map
<
string
,
double
>
MonteCarloAnisotropicBarostatImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
MonteCarloAnisotropicBarostatImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
parameters
;
return
{{
MonteCarloAnisotropicBarostat
::
PressureX
(),
getOwner
().
getDefaultPressure
()[
0
]},
parameters
[
MonteCarloAnisotropicBarostat
::
PressureX
()]
=
getOwner
().
getDefaultPressure
()[
0
];
{
MonteCarloAnisotropicBarostat
::
PressureY
(),
getOwner
().
getDefaultPressure
()[
1
]},
parameters
[
MonteCarloAnisotropicBarostat
::
PressureY
()]
=
getOwner
().
getDefaultPressure
()[
1
];
{
MonteCarloAnisotropicBarostat
::
PressureZ
(),
getOwner
().
getDefaultPressure
()[
2
]},
parameters
[
MonteCarloAnisotropicBarostat
::
PressureZ
()]
=
getOwner
().
getDefaultPressure
()[
2
];
{
MonteCarloAnisotropicBarostat
::
Temperature
(),
getOwner
().
getDefaultTemperature
()}};
parameters
[
MonteCarloAnisotropicBarostat
::
Temperature
()]
=
getOwner
().
getDefaultTemperature
();
return
parameters
;
}
}
vector
<
string
>
MonteCarloAnisotropicBarostatImpl
::
getKernelNames
()
{
vector
<
string
>
MonteCarloAnisotropicBarostatImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
ApplyMonteCarloBarostatKernel
::
Name
()};
names
.
push_back
(
ApplyMonteCarloBarostatKernel
::
Name
());
return
names
;
}
}
Vec3
MonteCarloAnisotropicBarostatImpl
::
computeCurrentPressure
(
ContextImpl
&
context
)
{
Vec3
MonteCarloAnisotropicBarostatImpl
::
computeCurrentPressure
(
ContextImpl
&
context
)
{
...
...
openmmapi/src/MonteCarloBarostatImpl.cpp
View file @
c24c619e
...
@@ -112,16 +112,12 @@ void MonteCarloBarostatImpl::updateContextState(ContextImpl& context, bool& forc
...
@@ -112,16 +112,12 @@ void MonteCarloBarostatImpl::updateContextState(ContextImpl& context, bool& forc
}
}
map
<
string
,
double
>
MonteCarloBarostatImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
MonteCarloBarostatImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
parameters
;
return
{{
MonteCarloBarostat
::
Pressure
(),
getOwner
().
getDefaultPressure
()},
parameters
[
MonteCarloBarostat
::
Pressure
()]
=
getOwner
().
getDefaultPressure
();
{
MonteCarloBarostat
::
Temperature
(),
getOwner
().
getDefaultTemperature
()}};
parameters
[
MonteCarloBarostat
::
Temperature
()]
=
getOwner
().
getDefaultTemperature
();
return
parameters
;
}
}
vector
<
string
>
MonteCarloBarostatImpl
::
getKernelNames
()
{
vector
<
string
>
MonteCarloBarostatImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
ApplyMonteCarloBarostatKernel
::
Name
()};
names
.
push_back
(
ApplyMonteCarloBarostatKernel
::
Name
());
return
names
;
}
}
double
MonteCarloBarostatImpl
::
computeCurrentPressure
(
ContextImpl
&
context
)
{
double
MonteCarloBarostatImpl
::
computeCurrentPressure
(
ContextImpl
&
context
)
{
...
...
openmmapi/src/MonteCarloFlexibleBarostatImpl.cpp
View file @
c24c619e
...
@@ -138,16 +138,12 @@ void MonteCarloFlexibleBarostatImpl::updateContextState(ContextImpl& context, bo
...
@@ -138,16 +138,12 @@ void MonteCarloFlexibleBarostatImpl::updateContextState(ContextImpl& context, bo
}
}
map
<
string
,
double
>
MonteCarloFlexibleBarostatImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
MonteCarloFlexibleBarostatImpl
::
getDefaultParameters
()
{
map
<
string
,
double
>
parameters
;
return
{{
MonteCarloFlexibleBarostat
::
Pressure
(),
getOwner
().
getDefaultPressure
()},
parameters
[
MonteCarloFlexibleBarostat
::
Pressure
()]
=
getOwner
().
getDefaultPressure
();
{
MonteCarloFlexibleBarostat
::
Temperature
(),
getOwner
().
getDefaultTemperature
()}};
parameters
[
MonteCarloFlexibleBarostat
::
Temperature
()]
=
getOwner
().
getDefaultTemperature
();
return
parameters
;
}
}
vector
<
string
>
MonteCarloFlexibleBarostatImpl
::
getKernelNames
()
{
vector
<
string
>
MonteCarloFlexibleBarostatImpl
::
getKernelNames
()
{
vector
<
string
>
names
;
return
{
ApplyMonteCarloBarostatKernel
::
Name
()};
names
.
push_back
(
ApplyMonteCarloBarostatKernel
::
Name
());
return
names
;
}
}
void
MonteCarloFlexibleBarostatImpl
::
computeCurrentPressure
(
ContextImpl
&
context
,
vector
<
double
>&
pressure
)
{
void
MonteCarloFlexibleBarostatImpl
::
computeCurrentPressure
(
ContextImpl
&
context
,
vector
<
double
>&
pressure
)
{
...
...
Prev
1
2
3
4
Next
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment