box | PLMD::MDAtomsTyped< T > | private |
c | PLMD::MDAtomsTyped< T > | private |
create(unsigned n) | PLMD::MDAtomsBase | static |
double2MD(const double &d, const TypesafePtr &m) const override | PLMD::MDAtomsTyped< T > | inlinevirtual |
extraCV | PLMD::MDAtomsTyped< T > | private |
extraCVForce | PLMD::MDAtomsTyped< T > | private |
f | PLMD::MDAtomsTyped< T > | private |
fx | PLMD::MDAtomsTyped< T > | private |
fy | PLMD::MDAtomsTyped< T > | private |
fz | PLMD::MDAtomsTyped< T > | private |
getBox(Tensor &) const override | PLMD::MDAtomsTyped< T > | virtual |
getCharges(const std::vector< int > &index, std::vector< double > &) const override | PLMD::MDAtomsTyped< T > | virtual |
getExtraCV(const std::string &name) override | PLMD::MDAtomsTyped< T > | inlinevirtual |
getLocalPositions(std::vector< Vector > &p) const override | PLMD::MDAtomsTyped< T > | virtual |
getMasses(const std::vector< int > &index, std::vector< double > &) const override | PLMD::MDAtomsTyped< T > | virtual |
getMDforces(const unsigned index) const override | PLMD::MDAtomsTyped< T > | inlinevirtual |
getPositions(const std::vector< int > &index, std::vector< Vector > &positions) const override | PLMD::MDAtomsTyped< T > | virtual |
getPositions(const std::set< AtomNumber > &index, const std::vector< unsigned > &i, std::vector< Vector > &positions) const override | PLMD::MDAtomsTyped< T > | virtual |
getPositions(unsigned j, unsigned k, std::vector< Vector > &positions) const override | PLMD::MDAtomsTyped< T > | virtual |
getRealPrecision() const override | PLMD::MDAtomsTyped< T > | virtual |
m | PLMD::MDAtomsTyped< T > | private |
MD2double(const TypesafePtr &m, double &d) const override | PLMD::MDAtomsTyped< T > | inlinevirtual |
p | PLMD::MDAtomsTyped< T > | private |
px | PLMD::MDAtomsTyped< T > | private |
py | PLMD::MDAtomsTyped< T > | private |
pz | PLMD::MDAtomsTyped< T > | private |
rescaleForces(const std::vector< int > &index, double factor) override | PLMD::MDAtomsTyped< T > | virtual |
scaleb | PLMD::MDAtomsTyped< T > | private |
scalec | PLMD::MDAtomsTyped< T > | private |
scalef | PLMD::MDAtomsTyped< T > | private |
scalem | PLMD::MDAtomsTyped< T > | private |
scalep | PLMD::MDAtomsTyped< T > | private |
scalev | PLMD::MDAtomsTyped< T > | private |
setBox(const TypesafePtr &) override | PLMD::MDAtomsTyped< T > | virtual |
setc(const TypesafePtr &m) override | PLMD::MDAtomsTyped< T > | virtual |
setExtraCV(const std::string &name, const TypesafePtr &p) override | PLMD::MDAtomsTyped< T > | inlinevirtual |
setExtraCVForce(const std::string &name, const TypesafePtr &p) override | PLMD::MDAtomsTyped< T > | inlinevirtual |
setf(const TypesafePtr &f) override | PLMD::MDAtomsTyped< T > | virtual |
setf(const TypesafePtr &f, int i) override | PLMD::MDAtomsTyped< T > | virtual |
setm(const TypesafePtr &m) override | PLMD::MDAtomsTyped< T > | virtual |
setp(const TypesafePtr &p) override | PLMD::MDAtomsTyped< T > | virtual |
setp(const TypesafePtr &p, int i) override | PLMD::MDAtomsTyped< T > | virtual |
setUnits(const Units &, const Units &) override | PLMD::MDAtomsTyped< T > | virtual |
setVirial(const TypesafePtr &) override | PLMD::MDAtomsTyped< T > | virtual |
updateExtraCVForce(const std::string &name, double f) override | PLMD::MDAtomsTyped< T > | inlinevirtual |
updateForces(const std::vector< int > &index, const std::vector< Vector > &) override | PLMD::MDAtomsTyped< T > | virtual |
updateForces(const std::set< AtomNumber > &index, const std::vector< unsigned > &i, const std::vector< Vector > &forces) override | PLMD::MDAtomsTyped< T > | virtual |
updateVirial(const Tensor &) const override | PLMD::MDAtomsTyped< T > | virtual |
virial | PLMD::MDAtomsTyped< T > | private |
~MDAtomsBase() | PLMD::MDAtomsBase | inlinevirtual |