#include <NamdTypes.h>
Inheritance diagram for CompAtom:

Public Member Functions | |
| CompAtom () | |
| CompAtom (const CompAtom &a) | |
| CompAtom & | operator= (const CompAtom &a) |
Public Attributes | |
| Position | position |
| Charge | charge |
| unsigned int | id: 22 |
| unsigned int | hydrogenGroupSize: 3 |
| unsigned int | nonbondedGroupIsAtom: 1 |
| unsigned int | atomFixed: 1 |
| unsigned int | groupFixed: 1 |
| unsigned int | partition: 4 |
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Definition at line 59 of file NamdTypes.h. 00059 { ; }
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Definition at line 62 of file NamdTypes.h. References charge. 00062 : 00063 position(a.position), charge(a.charge), 00064 id(a.id), hydrogenGroupSize(a.hydrogenGroupSize), 00065 nonbondedGroupIsAtom(a.nonbondedGroupIsAtom), 00066 atomFixed(a.atomFixed), groupFixed(a.groupFixed), 00067 partition(a.partition){ 00068 ; 00069 }
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Definition at line 72 of file NamdTypes.h. References atomFixed, charge, charge, groupFixed, hydrogenGroupSize, id, nonbondedGroupIsAtom, partition, and position. 00072 {
00073 position = a.position;
00074 charge = a.charge;
00075 id = a.id;
00076 hydrogenGroupSize = a.hydrogenGroupSize;
00077 nonbondedGroupIsAtom = a.nonbondedGroupIsAtom;
00078 atomFixed = a.atomFixed;
00079 groupFixed = a.groupFixed;
00080 partition = a.partition;
00081
00082 return *this;
00083 }
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Definition at line 51 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), ComputeEField::doForce(), ComputePme::doWork(), ComputeFullDirect::doWork(), ComputeEwald::doWork(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), operator=(), ComputeExtMgr::recvCoord(), Sequencer::reloadCharges(), and SELF(). |
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Definition at line 56 of file NamdTypes.h. Referenced by Sequencer::berendsenPressure(), WorkDistrib::createAtomLists(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), Sequencer::langevinPiston(), operator=(), and SELF(). |
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Definition at line 53 of file NamdTypes.h. Referenced by Sequencer::berendsenPressure(), WorkDistrib::createAtomLists(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), Sequencer::langevinPiston(), operator=(), SELF(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), and Sequencer::submitReductions(). |
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Definition at line 54 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), operator=(), and SELF(). |
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1.3.9.1