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tsoc
openmm
Commits
6b51520c
"platforms/cuda-old/src/kernels/kCalculateLocalForces.cu" did not exist on "661fa97f06a01e53e93fd743dc0327828a95f9ee"
Unverified
Commit
6b51520c
authored
Feb 01, 2023
by
oxdc
Committed by
GitHub
Jan 31, 2023
Browse files
fix typos (#3920)
parent
7c9e2cde
Changes
1
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openmmapi/src/NoseHooverIntegrator.cpp
openmmapi/src/NoseHooverIntegrator.cpp
+2
-2
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openmmapi/src/NoseHooverIntegrator.cpp
View file @
6b51520c
...
...
@@ -74,7 +74,7 @@ int NoseHooverIntegrator::addThermostat(double temperature, double collisionFreq
throw
OpenMMException
(
"NoseHooverIntegrator: temperature cannot be negative"
);
if
(
collisionFrequency
<=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: collisionFrequency must be positive"
);
if
(
c
ollisionFrequency
<
0
)
if
(
c
hainLength
<
=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: chainLength must be positive"
);
if
(
numMTS
<
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: numMTS must be positive"
);
...
...
@@ -98,7 +98,7 @@ int NoseHooverIntegrator::addSubsystemThermostat(const std::vector<int>& thermos
throw
OpenMMException
(
"NoseHooverIntegrator: collisionFrequency must be positive"
);
if
(
relativeCollisionFrequency
<=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: relativeCollisionFrequency must be positive"
);
if
(
c
ollisionFrequency
<
0
)
if
(
c
hainLength
<
=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: chainLength must be positive"
);
if
(
numMTS
<
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: numMTS must be positive"
);
...
...
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