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tsoc
openmm
Commits
0885a51a
Commit
0885a51a
authored
Sep 11, 2019
by
Peter Eastman
Browse files
Fixed compilation error introduced by #2378
parent
ed569c1d
Changes
1
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1 changed file
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6 additions
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2 deletions
+6
-2
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp
...ns/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp
+6
-2
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plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp
View file @
0885a51a
...
@@ -396,7 +396,6 @@ void testVdwAmmoniaCubicMeanHhg() {
...
@@ -396,7 +396,6 @@ void testVdwAmmoniaCubicMeanHhg() {
compareForcesEnergy
(
testName
,
expectedEnergy
,
energy
,
expectedForces
,
forces
,
tolerance
);
compareForcesEnergy
(
testName
,
expectedEnergy
,
energy
,
expectedForces
,
forces
,
tolerance
);
}
}
// test VDW w/ sigmaRule=CubicMean and epsilonRule=W-H
// test VDW w/ sigmaRule=CubicMean and epsilonRule=W-H
void
testVdwAmmoniaCubicMeanWH
()
{
void
testVdwAmmoniaCubicMeanWH
()
{
...
@@ -435,6 +434,12 @@ void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::A
...
@@ -435,6 +434,12 @@ void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::A
std
::
string
testName
=
"testVdwAlchemical"
;
std
::
string
testName
=
"testVdwAlchemical"
;
int
numberOfParticles
=
8
;
double
boxDimension
=
-
1.0
;
double
cutoff
=
9000000.0
;
std
::
vector
<
Vec3
>
forces
;
double
energy
;
setupAndGetForcesEnergyVdwAmmonia2
(
"CUBIC-MEAN"
,
"HHG"
,
cutoff
,
boxDimension
,
forces
,
energy
,
setupAndGetForcesEnergyVdwAmmonia2
(
"CUBIC-MEAN"
,
"HHG"
,
cutoff
,
boxDimension
,
forces
,
energy
,
method
,
power
,
alpha
,
lambda
);
method
,
power
,
alpha
,
lambda
);
std
::
vector
<
Vec3
>
expectedForces
(
numberOfParticles
);
std
::
vector
<
Vec3
>
expectedForces
(
numberOfParticles
);
...
@@ -459,7 +464,6 @@ void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::A
...
@@ -459,7 +464,6 @@ void testVdwAlchemical(int power, double alpha, double lambda, AmoebaVdwForce::A
compareForcesEnergy
(
testName
,
expectedEnergy
,
energy
,
expectedForces
,
forces
,
tolerance
);
compareForcesEnergy
(
testName
,
expectedEnergy
,
energy
,
expectedForces
,
forces
,
tolerance
);
}
}
// test VDW w/ sigmaRule=Arithmetic and epsilonRule=Arithmetic
// test VDW w/ sigmaRule=Arithmetic and epsilonRule=Arithmetic
void
testVdwAmmoniaArithmeticArithmetic
()
{
void
testVdwAmmoniaArithmeticArithmetic
()
{
...
...
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