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
bdf9d9d1
Commit
bdf9d9d1
authored
Nov 16, 2011
by
Mark Friedrichs
Browse files
Added missing initializations
parent
3d670d63
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
2 additions
and
1 deletion
+2
-1
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
+2
-1
No files found.
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
View file @
bdf9d9d1
...
...
@@ -39,7 +39,8 @@ using std::string;
using
std
::
vector
;
AmoebaMultipoleForce
::
AmoebaMultipoleForce
()
:
nonbondedMethod
(
NoCutoff
),
polarizationType
(
Mutual
),
pmeBSplineOrder
(
5
),
cutoffDistance
(
1.0
),
ewaldErrorTol
(
1e-4
),
mutualInducedIterationMethod
(
SOR
),
mutualInducedMaxIterations
(
60
),
mutualInducedTargetEpsilon
(
1.0e-05
),
scalingDistanceCutoff
(
100.0
),
electricConstant
(
138.9354558456
)
{
mutualInducedTargetEpsilon
(
1.0e-05
),
scalingDistanceCutoff
(
100.0
),
electricConstant
(
138.9354558456
),
aewald
(
0.0
)
{
pmeGridDimension
[
0
]
=
pmeGridDimension
[
1
]
=
pmeGridDimension
[
2
]
=
0
;
}
AmoebaMultipoleForce
::
AmoebaNonbondedMethod
AmoebaMultipoleForce
::
getNonbondedMethod
(
void
)
const
{
...
...
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