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
0e492d96
Commit
0e492d96
authored
Jan 25, 2016
by
Saurabh Belsare
Browse files
Debugging 5
parent
56b8df1c
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
2 additions
and
1 deletion
+2
-1
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
...ence/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
+2
-1
No files found.
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
View file @
0e492d96
...
@@ -1838,7 +1838,8 @@ void AmoebaReferenceMultipoleForce::calculateLabFramePermanentDipoles(const vect
...
@@ -1838,7 +1838,8 @@ void AmoebaReferenceMultipoleForce::calculateLabFramePermanentDipoles(const vect
setup
(
particlePositions
,
charges
,
dipoles
,
quadrupoles
,
tholes
,
setup
(
particlePositions
,
charges
,
dipoles
,
quadrupoles
,
tholes
,
dampingFactors
,
polarity
,
axisTypes
,
multipoleAtomZs
,
multipoleAtomXs
,
multipoleAtomYs
,
dampingFactors
,
polarity
,
axisTypes
,
multipoleAtomZs
,
multipoleAtomXs
,
multipoleAtomYs
,
multipoleAtomCovalentInfo
,
particleData
);
multipoleAtomCovalentInfo
,
particleData
);
cout
<<
"This is a dipole test uniqueString"
<<
particleData
.
size
()
<<
endl
;
cout
<<
"This is a dipole test uniqueString number of particles"
<<
_numParticles
<<
endl
;
cout
<<
"This is a dipole test uniqueString size of Particle Data"
<<
particleData
.
size
()
<<
endl
;
for
(
int
i
=
0
;
i
<
_numParticles
;
i
++
)
for
(
int
i
=
0
;
i
<
_numParticles
;
i
++
)
{
{
_labFramePermanentDipole
[
i
]
=
particleData
[
i
].
dipole
;
_labFramePermanentDipole
[
i
]
=
particleData
[
i
].
dipole
;
...
...
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