accelerator | PLMD::GridBase | protected |
addKernel(const KernelFunctions &kernel) | PLMD::GridBase | |
addValue(index_t index, double value) override | PLMD::Grid | virtual |
addValue(index_t index, double value)=0 | PLMD::Grid | |
addValue(const std::vector< unsigned > &indices, double value) | PLMD::Grid | |
PLMD::GridBase::addValue(const std::vector< unsigned > &indices, double value) | PLMD::GridBase | |
addValueAndDerivatives(index_t index, double value, std::vector< double > &der) override | PLMD::Grid | virtual |
addValueAndDerivatives(index_t index, double value, std::vector< double > &der)=0 | PLMD::Grid | |
addValueAndDerivatives(const std::vector< unsigned > &indices, double value, std::vector< double > &der) | PLMD::Grid | |
PLMD::GridBase::addValueAndDerivatives(const std::vector< unsigned > &indices, double value, std::vector< double > &der) | PLMD::GridBase | |
applyFunctionAllValuesAndDerivatives(double(*func)(double val), double(*funcder)(double valder)) | PLMD::Grid | |
argnames | PLMD::GridBase | protected |
clear() | PLMD::Grid | |
contour_location | PLMD::Grid | private |
create(const std::string &, const std::vector< Value * > &, IFile &, bool, bool, bool) | PLMD::GridBase | static |
create(const std::string &, const std::vector< Value * > &, IFile &, const std::vector< std::string > &, const std::vector< std::string > &, const std::vector< unsigned > &, bool, bool, bool) | PLMD::GridBase | static |
der_ | PLMD::Grid | private |
dimension_ | PLMD::GridBase | protected |
dospline_ | PLMD::GridBase | protected |
dx_ | PLMD::GridBase | protected |
findMaximalPathMinimum(const std::vector< double > &source, const std::vector< double > &sink) | PLMD::GridBase | |
findSetOfPointsOnContour(const double &target, const std::vector< bool > &nosearch, unsigned &npoints, std::vector< std::vector< double > > &points) | PLMD::Grid | |
fmt_ | PLMD::GridBase | protected |
funcname | PLMD::GridBase | protected |
getArgNames() const | PLMD::GridBase | |
getBinVolume() const | PLMD::GridBase | |
getDifferenceFromContour(const std::vector< double > &x, std::vector< double > &der) const | PLMD::Grid | |
getDimension() const | PLMD::GridBase | |
getDx() const | PLMD::GridBase | |
getDx(index_t j) const | PLMD::GridBase | |
getIndex(const unsigned *indices, std::size_t indices_size) const | PLMD::GridBase | inline |
getIndex(const std::vector< unsigned > &indices) const | PLMD::GridBase | inline |
getIndex(const std::vector< double > &x) const | PLMD::GridBase | inline |
getIndices(index_t index, std::vector< unsigned > &rindex) const | PLMD::GridBase | inline |
getIndices(index_t index, unsigned *rindex_data, std::size_t rindex_size) const | PLMD::GridBase | inline |
getIndices(const std::vector< double > &x, std::vector< unsigned > &rindex) const | PLMD::GridBase | inline |
getIndices(const std::vector< double > &x, unsigned *rindex_data, std::size_t rindex_size) const | PLMD::GridBase | inline |
getIndices(index_t index) const | PLMD::GridBase | inline |
getIndices(const std::vector< double > &x) const | PLMD::GridBase | inline |
getIsPeriodic() const | PLMD::GridBase | |
getMax() const | PLMD::GridBase | |
getMaxValue() const override | PLMD::Grid | virtual |
getMin() const | PLMD::GridBase | |
getMinValue() const override | PLMD::Grid | virtual |
getNbin() const | PLMD::GridBase | |
getNearestNeighbors(const index_t index) const | PLMD::GridBase | |
getNearestNeighbors(const std::vector< unsigned > &indices) const | PLMD::GridBase | |
getNeighbors(index_t index, const std::vector< unsigned > &neigh) const | PLMD::GridBase | inline |
getNeighbors(const std::vector< unsigned > &indices, const std::vector< unsigned > &neigh) const | PLMD::GridBase | inline |
getNeighbors(const std::vector< double > &x, const std::vector< unsigned > &neigh) const | PLMD::GridBase | inline |
getPoint(index_t index) const | PLMD::GridBase | inline |
getPoint(const std::vector< unsigned > &indices) const | PLMD::GridBase | inline |
getPoint(const std::vector< double > &x) const | PLMD::GridBase | inline |
getPoint(index_t index, std::vector< double > &point) const | PLMD::GridBase | inline |
getPoint(const std::vector< unsigned > &indices, std::vector< double > &point) const | PLMD::GridBase | inline |
getPoint(const std::vector< double > &x, std::vector< double > &point) const | PLMD::GridBase | inline |
getPoint(const unsigned *indices_data, std::size_t indices_size, std::vector< double > &point) const | PLMD::GridBase | inline |
getPoint(const unsigned *indices_data, std::size_t indices_size, double *point, std::size_t point_size) const | PLMD::GridBase | inline |
getSize() const override | PLMD::Grid | virtual |
getSplineNeighbors(const unsigned *indices, std::size_t indices_size, index_t *neighbors, std::size_t neighbors_size) const | PLMD::GridBase | protected |
getValue(index_t index) const override | PLMD::Grid | virtual |
getValue(index_t index) const=0 | PLMD::Grid | |
getValue(const std::vector< unsigned > &indices) const | PLMD::Grid | |
getValue(const std::vector< double > &x) const | PLMD::Grid | |
PLMD::GridBase::getValue(const std::vector< unsigned > &indices) const | PLMD::GridBase | |
PLMD::GridBase::getValue(const std::vector< double > &x) const | PLMD::GridBase | |
getValueAndDerivatives(index_t index, double *der, std::size_t der_size) const override | PLMD::Grid | virtual |
getValueAndDerivatives(index_t index, double *der, std::size_t der_size) const=0 | PLMD::Grid | |
getValueAndDerivatives(index_t index, std::vector< double > &der) const | PLMD::Grid | |
getValueAndDerivatives(const std::vector< unsigned > &indices, std::vector< double > &der) const | PLMD::Grid | |
getValueAndDerivatives(const std::vector< double > &x, std::vector< double > &der) const | PLMD::Grid | |
PLMD::GridBase::getValueAndDerivatives(index_t index, std::vector< double > &der) const | PLMD::GridBase | |
PLMD::GridBase::getValueAndDerivatives(const std::vector< unsigned > &indices, std::vector< double > &der) const | PLMD::GridBase | |
PLMD::GridBase::getValueAndDerivatives(const std::vector< double > &x, std::vector< double > &der) const | PLMD::GridBase | |
Grid(const std::string &funcl, const std::vector< Value * > &args, const std::vector< std::string > &gmin, const std::vector< std::string > &gmax, const std::vector< unsigned > &nbin, bool dospline, bool usederiv) | PLMD::Grid | inline |
Grid(const std::string &funcl, const std::vector< std::string > &names, const std::vector< std::string > &gmin, const std::vector< std::string > &gmax, const std::vector< unsigned > &nbin, bool dospline, bool usederiv, const std::vector< bool > &isperiodic, const std::vector< std::string > &pmin, const std::vector< std::string > &pmax) | PLMD::Grid | inline |
grid_ | PLMD::Grid | private |
GridBase(const std::string &funcl, const std::vector< Value * > &args, const std::vector< std::string > &gmin, const std::vector< std::string > &gmax, const std::vector< unsigned > &nbin, bool dospline, bool usederiv) | PLMD::GridBase | |
GridBase(const std::string &funcl, const std::vector< std::string > &names, const std::vector< std::string > &gmin, const std::vector< std::string > &gmax, const std::vector< unsigned > &nbin, bool dospline, bool usederiv, const std::vector< bool > &isperiodic, const std::vector< std::string > &pmin, const std::vector< std::string > &pmax) | PLMD::GridBase | |
hasDerivatives() const | PLMD::GridBase | inline |
index_t typedef | PLMD::GridBase | |
Init(const std::string &funcl, const std::vector< std::string > &names, const std::vector< std::string > &gmin, const std::vector< std::string > &gmax, const std::vector< unsigned > &nbin, bool dospline, bool usederiv, const std::vector< bool > &isperiodic, const std::vector< std::string > &pmin, const std::vector< std::string > &pmax) | PLMD::GridBase | |
integrate(std::vector< unsigned > &npoints) | PLMD::Grid | |
logAllValuesAndDerivatives(const double &scalef) | PLMD::Grid | |
max_ | PLMD::GridBase | protected |
maxdim | PLMD::GridBase | static |
maxsize_ | PLMD::GridBase | protected |
min_ | PLMD::GridBase | protected |
mpiSumValuesAndDerivatives(Communicator &comm) | PLMD::Grid | |
nbin_ | PLMD::GridBase | protected |
pbc_ | PLMD::GridBase | protected |
project(const std::vector< std::string > &proj, WeightBase *ptr2obj) | PLMD::Grid | |
projectOnLowDimension(double &val, std::vector< int > &varHigh, WeightBase *ptr2obj) | PLMD::Grid | |
resetToDefaultOutputFmt() | PLMD::GridBase | inline |
scaleAllValuesAndDerivatives(const double &scalef) | PLMD::Grid | |
setMinToZero() | PLMD::Grid | |
setOutputFmt(const std::string &ss) | PLMD::GridBase | inline |
setValue(index_t index, double value) override | PLMD::Grid | virtual |
setValue(index_t index, double value)=0 | PLMD::Grid | |
setValue(const std::vector< unsigned > &indices, double value) | PLMD::Grid | |
PLMD::GridBase::setValue(const std::vector< unsigned > &indices, double value) | PLMD::GridBase | |
setValueAndDerivatives(index_t index, double value, std::vector< double > &der) override | PLMD::Grid | virtual |
setValueAndDerivatives(index_t index, double value, std::vector< double > &der)=0 | PLMD::Grid | |
setValueAndDerivatives(const std::vector< unsigned > &indices, double value, std::vector< double > &der) | PLMD::Grid | |
PLMD::GridBase::setValueAndDerivatives(const std::vector< unsigned > &indices, double value, std::vector< double > &der) | PLMD::GridBase | |
str_max_ | PLMD::GridBase | protected |
str_min_ | PLMD::GridBase | protected |
usederiv_ | PLMD::GridBase | protected |
writeCubeFile(OFile &, const double &lunit) | PLMD::GridBase | |
writeHeader(OFile &file) | PLMD::GridBase | |
writeToFile(OFile &) override | PLMD::Grid | virtual |
~GridBase()=default | PLMD::GridBase | virtual |