_connect | QCAtoms | [protected] |
_fragName | QCAtoms | [protected] |
_nbAA | QCAtoms | [protected] |
_nbLinks | QCAtoms | [protected] |
allocateAtoms(int nb) | QCAtoms | [inline] |
allocateDisps(void) | QCAtoms | [inline] |
asBase(void) const | QCAtoms | [inline, protected] |
atoms | QCAtoms | [protected] |
atomType | QCAtoms | [protected] |
buildGravityCenter(QCPoint3D &G) const | QCAtoms | [inline] |
DIMENSION | QCAtoms | [static] |
displayDisps(ostream &out) | QCAtoms | |
disps | QCAtoms | [protected] |
divDisps(QCFloat val) | QCAtoms | [inline] |
findMinMax(QCPoint3D &atomMin, QCPoint3D &atomMax) const | QCAtoms | [inline] |
fragName(const int i) | QCAtoms | [inline] |
fragTab | QCAtoms | [protected] |
getAtoms(void) const | QCAtoms | [inline] |
getConnectivity(const int i) | QCAtoms | [inline] |
getCoordsAt(int index) const | QCAtoms | [inline] |
getDispAt(int index, QCPoint3D &p) const | QCAtoms | [inline] |
getFragment(int index) const | QCAtoms | [inline] |
getNbAA(void) const | QCAtoms | [inline] |
getNbAtoms(void) const | QCAtoms | [inline] |
getNbFrags(void) const | QCAtoms | [inline] |
getNbLinks(void) const | QCAtoms | [inline] |
getPointAt(int index, QCPoint3D &p) const | QCAtoms | [inline] |
getType(int index) const | QCAtoms | [inline] |
incrXDisp(int idx, QCFloat val) | QCAtoms | [inline] |
incrYDisp(int idx, QCFloat val) | QCAtoms | [inline] |
incrZDisp(int idx, QCFloat val) | QCAtoms | [inline] |
nbAtoms | QCAtoms | [protected] |
nbFrags | QCAtoms | [protected] |
QCAtoms(void) | QCAtoms | [inline] |
QCAtoms(int nb) | QCAtoms | [inline] |
QCLinearPartitioner class | QCAtoms | [friend] |
QCMDSystem class | QCAtoms | [friend] |
resetDisps(void) | QCAtoms | [inline] |
setFragment(int index, int fragNumber) | QCAtoms | [inline, protected] |
setNbAA(const int n) | QCAtoms | [inline] |
setNbLinks(const int nbLink) | QCAtoms | [inline] |
setPointAt(int index, const QCFloat *array) | QCAtoms | [inline, protected] |
setPointAt(int index, const QCPoint3D &p) | QCAtoms | [inline, protected] |
setType(int index, int type) | QCAtoms | [inline, protected] |
swap(const int index1, const int index2) | QCAtoms | [inline] |
~QCAtoms(void) | QCAtoms | [inline, virtual] |