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
bb2c5f84
Commit
bb2c5f84
authored
Jul 16, 2009
by
Peter Eastman
Browse files
Fixed an error in the reference implementation of VariableLangevinIntegrator
parent
d147fc2c
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
platforms/reference/src/SimTKReference/ReferenceVariableStochasticDynamics.cpp
...rc/SimTKReference/ReferenceVariableStochasticDynamics.cpp
+1
-1
No files found.
platforms/reference/src/SimTKReference/ReferenceVariableStochasticDynamics.cpp
View file @
bb2c5f84
...
@@ -378,7 +378,7 @@ int ReferenceVariableStochasticDynamics::updatePart1( int numberOfAtoms, RealOpe
...
@@ -378,7 +378,7 @@ int ReferenceVariableStochasticDynamics::updatePart1( int numberOfAtoms, RealOpe
RealOpenMM
vPrime
=
oldVelocities
[
ii
][
jj
]
*
fixedParameters
[
EM_V
]
+
RealOpenMM
vPrime
=
oldVelocities
[
ii
][
jj
]
*
fixedParameters
[
EM_V
]
+
inverseMasses
[
ii
]
*
forces
[
ii
][
jj
]
*
tau
*
(
one
-
fixedParameters
[
EM_V
])
+
inverseMasses
[
ii
]
*
forces
[
ii
][
jj
]
*
tau
*
(
one
-
fixedParameters
[
EM_V
])
+
vVector
[
ii
][
jj
]
-
fixedParameters
[
EM
_V
]
*
Vmh
;
vVector
[
ii
][
jj
]
-
fixedParameters
[
EM
]
*
Vmh
;
xPrime
[
ii
][
jj
]
=
atomCoordinates
[
ii
][
jj
]
+
vPrime
*
fix1
;
xPrime
[
ii
][
jj
]
=
atomCoordinates
[
ii
][
jj
]
+
vPrime
*
fix1
;
}
}
...
...
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