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tsoc
openmm
Commits
b096cd7c
".github/vscode:/vscode.git/clone" did not exist on "dac35adc193cf1d02b211af87b84ae8b40d23c7f"
Unverified
Commit
b096cd7c
authored
May 18, 2022
by
Peter Eastman
Committed by
GitHub
May 18, 2022
Browse files
Made a test case slightly more accurate (#3608)
parent
a83178d4
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tests/TestNoseHooverIntegrator.h
tests/TestNoseHooverIntegrator.h
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tests/TestNoseHooverIntegrator.h
View file @
b096cd7c
...
@@ -140,7 +140,7 @@ void testConstraints() {
...
@@ -140,7 +140,7 @@ void testConstraints() {
void
testConstrainedClusters
()
{
void
testConstrainedClusters
()
{
const
int
numParticles
=
7
;
const
int
numParticles
=
7
;
System
system
;
System
system
;
NoseHooverIntegrator
integrator
(
0.000
5
);
NoseHooverIntegrator
integrator
(
0.000
4
);
integrator
.
setConstraintTolerance
(
1e-5
);
integrator
.
setConstraintTolerance
(
1e-5
);
NonbondedForce
*
forceField
=
new
NonbondedForce
();
NonbondedForce
*
forceField
=
new
NonbondedForce
();
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
{
for
(
int
i
=
0
;
i
<
numParticles
;
++
i
)
{
...
...
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