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 &, void *) 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
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
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
getRealPrecision() const =0	PLMD::MDAtomsBase	pure virtual
MD2double(const void *, double &) const =0	PLMD::MDAtomsBase	pure virtual
rescaleForces(const std::vector< int > &index, double factor)=0	PLMD::MDAtomsBase	pure virtual
setBox(void *)=0	PLMD::MDAtomsBase	pure virtual
setc(void *m)=0	PLMD::MDAtomsBase	pure virtual
setf(void *f)=0	PLMD::MDAtomsBase	pure virtual
setf(void *f, int i)=0	PLMD::MDAtomsBase	pure virtual
setm(void *m)=0	PLMD::MDAtomsBase	pure virtual
setp(void *p)=0	PLMD::MDAtomsBase	pure virtual
setp(void *p, int i)=0	PLMD::MDAtomsBase	pure virtual
setUnits(const Units &units, const Units &MDUnits)=0	PLMD::MDAtomsBase	pure virtual
setVirial(void *)=0	PLMD::MDAtomsBase	pure virtual
updateForces(const std::vector< int > &index, const std::vector< Vector > &f)=0	PLMD::MDAtomsBase	pure virtual
updateVirial(const Tensor &v) const =0	PLMD::MDAtomsBase	pure virtual
~MDAtomsBase()	PLMD::MDAtomsBase	inlinevirtual