PLMD::MDAtomsBase Member List

This is the complete list of members for PLMD::MDAtomsBase, including all inherited members.

create(unsigned n)	PLMD::MDAtomsBase	static
double2MD(const double &, const TypesafePtr &) const =0	PLMD::MDAtomsBase	pure virtual
getBox(Tensor &) const =0	PLMD::MDAtomsBase	pure virtual
getCharges(const std::vector< int > &index, std::vector< double > &c) const =0	PLMD::MDAtomsBase	pure virtual
getExtraCV(const std::string &name)=0	PLMD::MDAtomsBase	pure virtual
getLocalPositions(std::vector< Vector > &p) const =0	PLMD::MDAtomsBase	pure virtual
getMasses(const std::vector< int > &index, std::vector< double > &m) const =0	PLMD::MDAtomsBase	pure virtual
getMDforces(const unsigned index) const =0	PLMD::MDAtomsBase	pure virtual
getPositions(const std::vector< int > &index, std::vector< Vector > &p) const =0	PLMD::MDAtomsBase	pure virtual
getPositions(unsigned i, unsigned j, std::vector< Vector > &p) const =0	PLMD::MDAtomsBase	pure virtual
getPositions(const std::vector< AtomNumber > &index, const std::vector< unsigned > &i, std::vector< Vector > &p) const =0	PLMD::MDAtomsBase	pure virtual
getRealPrecision() const =0	PLMD::MDAtomsBase	pure virtual
isExtraCVNeeded(const std::string &name) const =0	PLMD::MDAtomsBase	pure virtual
MD2double(const TypesafePtr &, double &) const =0	PLMD::MDAtomsBase	pure virtual
rescaleForces(const std::vector< int > &index, double factor)=0	PLMD::MDAtomsBase	pure virtual
resetExtraCVNeeded()=0	PLMD::MDAtomsBase	pure virtual
setBox(const TypesafePtr &)=0	PLMD::MDAtomsBase	pure virtual
setc(const TypesafePtr &m)=0	PLMD::MDAtomsBase	pure virtual
setExtraCV(const std::string &name, const TypesafePtr &p)=0	PLMD::MDAtomsBase	pure virtual
setExtraCVForce(const std::string &name, const TypesafePtr &p)=0	PLMD::MDAtomsBase	pure virtual
setExtraCVNeeded(const std::string &name, bool needed=true)=0	PLMD::MDAtomsBase	pure virtual
setf(const TypesafePtr &f)=0	PLMD::MDAtomsBase	pure virtual
setf(const TypesafePtr &f, int i)=0	PLMD::MDAtomsBase	pure virtual
setm(const TypesafePtr &m)=0	PLMD::MDAtomsBase	pure virtual
setp(const TypesafePtr &p)=0	PLMD::MDAtomsBase	pure virtual
setp(const TypesafePtr &p, int i)=0	PLMD::MDAtomsBase	pure virtual
setUnits(const Units &units, const Units &MDUnits)=0	PLMD::MDAtomsBase	pure virtual
setVirial(const TypesafePtr &)=0	PLMD::MDAtomsBase	pure virtual
updateExtraCVForce(const std::string &name, double f)=0	PLMD::MDAtomsBase	pure virtual
updateForces(const std::vector< int > &index, const std::vector< Vector > &f)=0	PLMD::MDAtomsBase	pure virtual
updateForces(const std::vector< AtomNumber > &index, const std::vector< unsigned > &i, const std::vector< Vector > &forces)=0	PLMD::MDAtomsBase	pure virtual
updateVirial(const Tensor &v) const =0	PLMD::MDAtomsBase	pure virtual
~MDAtomsBase()	PLMD::MDAtomsBase	inlinevirtual