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tsoc
openmm
Commits
062a2db0
Commit
062a2db0
authored
Oct 23, 2013
by
peastman
Browse files
Minor change to the neighbor list padding distance
parent
8d9950da
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platforms/cpu/src/CpuKernels.cpp
platforms/cpu/src/CpuKernels.cpp
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platforms/cpu/src/CpuKernels.cpp
View file @
062a2db0
...
...
@@ -221,7 +221,7 @@ double CpuCalcNonbondedForceKernel::execute(ContextImpl& context, bool includeFo
if
(
nonbondedMethod
!=
NoCutoff
)
{
// Determine whether we need to recompute the neighbor list.
double
padding
=
0.1
*
nonbondedCutoff
;
double
padding
=
0.1
5
*
nonbondedCutoff
;
bool
needRecompute
=
false
;
double
closeCutoff2
=
0.25
*
padding
*
padding
;
double
farCutoff2
=
0.5
*
padding
*
padding
;
...
...
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