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ls1-MarDyn
ls1-MarDyn molecular dynamics code
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This is the complete list of members for Component, including all inherited members.
| addCharge(Charge &chargesite) (defined in Component) | Component | |
| addCharge(double x, double y, double z, double m, double q) (defined in Component) | Component | |
| addDipole(Dipole &dipolesite) (defined in Component) | Component | |
| addDipole(double x, double y, double z, double eMyx, double eMyy, double eMyz, double eMyabs) (defined in Component) | Component | |
| addLJcenter(LJcenter &ljsite) (defined in Component) | Component | |
| addLJcenter(double x, double y, double z, double m, double eps, double sigma, double rc=0, bool TRUNCATED_SHIFTED=0) (defined in Component) | Component | |
| addQuadrupole(Quadrupole &quadrupolesite) (defined in Component) | Component | |
| addQuadrupole(double x, double y, double z, double eQx, double eQy, double eQz, double eQabs) (defined in Component) | Component | |
| charge(unsigned i) (defined in Component) | Component | inline |
| charge(unsigned i) const (defined in Component) | Component | inline |
| charges() const (defined in Component) | Component | inline |
| Component(unsigned int id=0) (defined in Component) | Component | |
| deleteCharge() (defined in Component) | Component | inline |
| deleteDipole() (defined in Component) | Component | inline |
| deleteLJCenter() | Component | inline |
| deleteQuadrupole() (defined in Component) | Component | inline |
| dipole(unsigned int i) (defined in Component) | Component | inline |
| dipole(unsigned int i) const (defined in Component) | Component | inline |
| dipoles() const (defined in Component) | Component | inline |
| E() const (defined in Component) | Component | inline |
| E_rot() const (defined in Component) | Component | inline |
| E_trans() const (defined in Component) | Component | inline |
| getEps(unsigned int i) const | Component | inline |
| getLookUpId() const (defined in Component) | Component | inline |
| getName() const (defined in Component) | Component | inline |
| getNumMolecules() const | Component | inline |
| getRotationalDegreesOfFreedom() const | Component | inline |
| getSigma(unsigned int i) const (defined in Component) | Component | inline |
| I11() const (defined in Component) | Component | inline |
| I22() const (defined in Component) | Component | inline |
| I33() const (defined in Component) | Component | inline |
| ID() const | Component | inline |
| incNumMolecules() | Component | inline |
| incNumMolecules(int N) | Component | inline |
| ljcenter(unsigned int i) (defined in Component) | Component | inline |
| ljcenter(unsigned int i) const (defined in Component) | Component | inline |
| ljcenters() const (defined in Component) | Component | inline |
| m() const | Component | inline |
| numCharges() const | Component | inline |
| numDipoles() const | Component | inline |
| numLJcenters() const | Component | inline |
| numOrientedSites() const | Component | inline |
| numQuadrupoles() const | Component | inline |
| numSites() const | Component | inline |
| quadrupole(unsigned int i) (defined in Component) | Component | inline |
| quadrupole(unsigned int i) const (defined in Component) | Component | inline |
| quadrupoles() const (defined in Component) | Component | inline |
| readXML(XMLfileUnits &xmlconfig) | Component | |
| setE_rot(double E) (defined in Component) | Component | inline |
| setE_trans(double E) (defined in Component) | Component | inline |
| setI11(double I) (defined in Component) | Component | inline |
| setI22(double I) (defined in Component) | Component | inline |
| setI33(double I) (defined in Component) | Component | inline |
| setID(unsigned int id) | Component | inline |
| setLookUpId(unsigned lookUpId) (defined in Component) | Component | inline |
| setName(std::string name) (defined in Component) | Component | inline |
| setNumMolecules(unsigned long num) | Component | inline |
| setT(double T) (defined in Component) | Component | inline |
| T() const (defined in Component) | Component | inline |
| updateMassInertia() | Component | |
| write(std::ostream &ostrm) const | Component | |
| writeVIM(std::ostream &ostrm) (defined in Component) | Component |
1.9.2