PLMD::MDAtomsBase Member List

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

create(unsigned n)PLMD::MDAtomsBasestatic
double2MD(const double &, void *) const =0PLMD::MDAtomsBasepure virtual
getBox(Tensor &) const =0PLMD::MDAtomsBasepure virtual
getCharges(const std::vector< int > &index, std::vector< double > &c) const =0PLMD::MDAtomsBasepure virtual
getLocalPositions(std::vector< Vector > &p) const =0PLMD::MDAtomsBasepure virtual
getMasses(const std::vector< int > &index, std::vector< double > &m) const =0PLMD::MDAtomsBasepure virtual
getMDforces(const unsigned index) const =0PLMD::MDAtomsBasepure virtual
getPositions(const std::vector< int > &index, std::vector< Vector > &p) const =0PLMD::MDAtomsBasepure virtual
getPositions(unsigned i, unsigned j, std::vector< Vector > &p) const =0PLMD::MDAtomsBasepure virtual
getPositions(const std::set< AtomNumber > &index, const std::vector< unsigned > &i, std::vector< Vector > &p) const =0PLMD::MDAtomsBasepure virtual
getRealPrecision() const =0PLMD::MDAtomsBasepure virtual
MD2double(const void *, double &) const =0PLMD::MDAtomsBasepure virtual
rescaleForces(const std::vector< int > &index, double factor)=0PLMD::MDAtomsBasepure virtual
setBox(void *)=0PLMD::MDAtomsBasepure virtual
setc(void *m)=0PLMD::MDAtomsBasepure virtual
setf(void *f)=0PLMD::MDAtomsBasepure virtual
setf(void *f, int i)=0PLMD::MDAtomsBasepure virtual
setm(void *m)=0PLMD::MDAtomsBasepure virtual
setp(void *p)=0PLMD::MDAtomsBasepure virtual
setp(void *p, int i)=0PLMD::MDAtomsBasepure virtual
setUnits(const Units &units, const Units &MDUnits)=0PLMD::MDAtomsBasepure virtual
setVirial(void *)=0PLMD::MDAtomsBasepure virtual
updateForces(const std::vector< int > &index, const std::vector< Vector > &f)=0PLMD::MDAtomsBasepure virtual
updateForces(const std::set< AtomNumber > &index, const std::vector< unsigned > &i, const std::vector< Vector > &forces)=0PLMD::MDAtomsBasepure virtual
updateVirial(const Tensor &v) const =0PLMD::MDAtomsBasepure virtual
~MDAtomsBase()PLMD::MDAtomsBaseinlinevirtual