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
ace97c61
Unverified
Commit
ace97c61
authored
Dec 13, 2022
by
Peter Eastman
Committed by
GitHub
Dec 13, 2022
Browse files
Remove checks for negative pressure (#3870)
parent
cd5029c2
Changes
4
Hide whitespace changes
Inline
Side-by-side
Showing
4 changed files
with
0 additions
and
8 deletions
+0
-8
openmmapi/src/MonteCarloBarostat.cpp
openmmapi/src/MonteCarloBarostat.cpp
+0
-2
openmmapi/src/MonteCarloFlexibleBarostat.cpp
openmmapi/src/MonteCarloFlexibleBarostat.cpp
+0
-2
openmmapi/src/MonteCarloMembraneBarostat.cpp
openmmapi/src/MonteCarloMembraneBarostat.cpp
+0
-2
plugins/rpmd/openmmapi/src/RPMDMonteCarloBarostat.cpp
plugins/rpmd/openmmapi/src/RPMDMonteCarloBarostat.cpp
+0
-2
No files found.
openmmapi/src/MonteCarloBarostat.cpp
View file @
ace97c61
...
...
@@ -44,8 +44,6 @@ MonteCarloBarostat::MonteCarloBarostat(double defaultPressure, double defaultTem
}
void
MonteCarloBarostat
::
setDefaultPressure
(
double
pressure
)
{
if
(
pressure
<
0
)
throw
OpenMMException
(
"Pressure cannot be negative"
);
defaultPressure
=
pressure
;
}
...
...
openmmapi/src/MonteCarloFlexibleBarostat.cpp
View file @
ace97c61
...
...
@@ -43,8 +43,6 @@ MonteCarloFlexibleBarostat::MonteCarloFlexibleBarostat(double defaultPressure, d
}
void
MonteCarloFlexibleBarostat
::
setDefaultPressure
(
double
pressure
)
{
if
(
pressure
<
0
)
throw
OpenMMException
(
"Pressure cannot be negative"
);
defaultPressure
=
pressure
;
}
...
...
openmmapi/src/MonteCarloMembraneBarostat.cpp
View file @
ace97c61
...
...
@@ -44,8 +44,6 @@ MonteCarloMembraneBarostat::MonteCarloMembraneBarostat(double defaultPressure, d
}
void
MonteCarloMembraneBarostat
::
setDefaultPressure
(
double
pressure
)
{
if
(
pressure
<
0
)
throw
OpenMMException
(
"Pressure cannot be negative"
);
defaultPressure
=
pressure
;
}
...
...
plugins/rpmd/openmmapi/src/RPMDMonteCarloBarostat.cpp
View file @
ace97c61
...
...
@@ -41,8 +41,6 @@ RPMDMonteCarloBarostat::RPMDMonteCarloBarostat(double defaultPressure, int frequ
}
void
RPMDMonteCarloBarostat
::
setDefaultPressure
(
double
pressure
)
{
if
(
pressure
<
0
)
throw
OpenMMException
(
"Pressure cannot be negative"
);
defaultPressure
=
pressure
;
}
...
...
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