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tsoc
openmm
Commits
9a59374e
"vscode:/vscode.git/clone" did not exist on "75104c412d1d0e9cf4a3de01bc91f1484da7a28a"
Commit
9a59374e
authored
Apr 03, 2013
by
Lee-Ping Wang
Browse files
Modified TestCudaAmoebaMultipoleForce to agree with unit-correction.
parent
9b2b0cad
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plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
...eba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
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plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
View file @
9a59374e
...
...
@@ -2721,9 +2721,9 @@ static void testSystemMultipoleMoments( FILE* log ) {
std
::
vector
<
double
>
tinkerMoments
(
4
);
tinkerMoments
[
0
]
=
0.0000000e+00
;
tinkerMoments
[
1
]
=
-
9.1118361e
-01
;
tinkerMoments
[
2
]
=
2.8371876e+0
0
;
tinkerMoments
[
3
]
=
5.1518898e+0
0
;
tinkerMoments
[
1
]
=
-
9.1118361e
+00
;
tinkerMoments
[
2
]
=
2.8371876e+0
1
;
tinkerMoments
[
3
]
=
5.1518898e+0
1
;
// tinkerMoments[4] = -1.0768808e-01; // Quadrupole moments are not uniquely defined when using periodic boundary conditions
// tinkerMoments[5] = -9.0458124e-01;
// tinkerMoments[6] = 1.8460385e+00;
...
...
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