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
6b51520c
Unverified
Commit
6b51520c
authored
Feb 01, 2023
by
oxdc
Committed by
GitHub
Jan 31, 2023
Browse files
fix typos (#3920)
parent
7c9e2cde
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
2 additions
and
2 deletions
+2
-2
openmmapi/src/NoseHooverIntegrator.cpp
openmmapi/src/NoseHooverIntegrator.cpp
+2
-2
No files found.
openmmapi/src/NoseHooverIntegrator.cpp
View file @
6b51520c
...
@@ -74,7 +74,7 @@ int NoseHooverIntegrator::addThermostat(double temperature, double collisionFreq
...
@@ -74,7 +74,7 @@ int NoseHooverIntegrator::addThermostat(double temperature, double collisionFreq
throw
OpenMMException
(
"NoseHooverIntegrator: temperature cannot be negative"
);
throw
OpenMMException
(
"NoseHooverIntegrator: temperature cannot be negative"
);
if
(
collisionFrequency
<=
0
)
if
(
collisionFrequency
<=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: collisionFrequency must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: collisionFrequency must be positive"
);
if
(
c
ollisionFrequency
<
0
)
if
(
c
hainLength
<
=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: chainLength must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: chainLength must be positive"
);
if
(
numMTS
<
0
)
if
(
numMTS
<
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: numMTS must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: numMTS must be positive"
);
...
@@ -98,7 +98,7 @@ int NoseHooverIntegrator::addSubsystemThermostat(const std::vector<int>& thermos
...
@@ -98,7 +98,7 @@ int NoseHooverIntegrator::addSubsystemThermostat(const std::vector<int>& thermos
throw
OpenMMException
(
"NoseHooverIntegrator: collisionFrequency must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: collisionFrequency must be positive"
);
if
(
relativeCollisionFrequency
<=
0
)
if
(
relativeCollisionFrequency
<=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: relativeCollisionFrequency must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: relativeCollisionFrequency must be positive"
);
if
(
c
ollisionFrequency
<
0
)
if
(
c
hainLength
<
=
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: chainLength must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: chainLength must be positive"
);
if
(
numMTS
<
0
)
if
(
numMTS
<
0
)
throw
OpenMMException
(
"NoseHooverIntegrator: numMTS must be positive"
);
throw
OpenMMException
(
"NoseHooverIntegrator: numMTS must be positive"
);
...
...
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