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ComputeNonbondedCUDAExcl.inl
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#ifndef COMPUTENONBONDEDCUDAEXCL_INL
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#define COMPUTENONBONDEDCUDAEXCL_INL
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#include "
ComputeNonbondedCUDAExcl.h
"
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inline
ExclElem::ExclElem
() { ; }
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inline
ExclElem::ExclElem
(
AtomID
atom0,
const
TupleSignature
*sig,
const
int
*v){
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atomID
[0] = atom0;
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atomID
[1] = atom0 + sig->
offset
[0];
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modified
= sig->
tupleParamType
;
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}
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inline
ExclElem::ExclElem
(
const
Exclusion
*a,
const
int
*v)
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{
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atomID
[0] = a->
atom1
;
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atomID
[1] = a->
atom2
;
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modified
= a->
modified
;
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}
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inline
ExclElem::ExclElem
(
AtomID
atom0,
AtomID
atom1)
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{
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if
(atom0 > atom1) {
// Swap end atoms so lowest is first!
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AtomID
tmp = atom1; atom1 = atom0; atom0 = tmp;
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}
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atomID
[0] = atom0;
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atomID
[1] = atom1;
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}
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inline
int
ExclElem::operator==
(
const
ExclElem
&a)
const
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{
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return
(a.
atomID
[0] ==
atomID
[0] && a.
atomID
[1] ==
atomID
[1]);
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}
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inline
int
ExclElem::operator<
(
const
ExclElem
&a)
const
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{
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return
(
atomID
[0] < a.
atomID
[0] ||
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(
atomID
[0] == a.
atomID
[0] &&
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(
atomID
[1] < a.
atomID
[1]) ));
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}
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#endif
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Exclusion::atom2
int32 atom2
Definition:
structures.h:160
AtomID
int AtomID
Definition:
NamdTypes.h:29
Exclusion
Definition:
structures.h:153
ExclElem::modified
int modified
Definition:
ComputeNonbondedCUDAExcl.h:49
ExclElem::operator==
int operator==(const ExclElem &a) const
Definition:
ComputeNonbondedCUDAExcl.inl:36
ExclElem::operator<
int operator<(const ExclElem &a) const
Definition:
ComputeNonbondedCUDAExcl.inl:41
Exclusion::modified
Index modified
Definition:
structures.h:161
TupleSignature
Definition:
structures.h:192
Exclusion::atom1
int32 atom1
Definition:
structures.h:159
ExclElem
Definition:
ComputeNonbondedCUDAExcl.h:21
ExclElem::atomID
AtomID atomID[size]
Definition:
ComputeNonbondedCUDAExcl.h:25
ComputeNonbondedCUDAExcl.h
ExclElem::ExclElem
ExclElem()
Definition:
ComputeNonbondedCUDAExcl.inl:12
TupleSignature::tupleParamType
Index tupleParamType
Definition:
structures.h:202
TupleSignature::offset
int * offset
Definition:
structures.h:198
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