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tsoc
openmm
Commits
87815e8c
Commit
87815e8c
authored
Nov 19, 2009
by
Peter Eastman
Browse files
Fixed an overly strict tolerance in a test case
parent
fa818ff9
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platforms/reference/tests/TestReferenceEwald.cpp
platforms/reference/tests/TestReferenceEwald.cpp
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platforms/reference/tests/TestReferenceEwald.cpp
View file @
87815e8c
...
...
@@ -184,7 +184,7 @@ void testEwaldPME() {
State
state3
=
context
.
getState
(
State
::
Forces
|
State
::
Energy
);
// Gromacs PME energy for the same mesh
tol
=
1e-
5
;
tol
=
1e-
4
;
ASSERT_EQUAL_TOL
(
-
3.82047e+05
,
state3
.
getPotentialEnergy
(),
tol
);
// (5) CHECK WHETHER PME FORCES ARE THE SAME AS THE GROMACS OUTPUT USING EWALD
...
...
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