votca 2024.2-dev
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This is the complete list of members for votca::xtp::JobTopology, including all inherited members.
begin() | votca::xtp::JobTopology | inline |
begin() const | votca::xtp::JobTopology | inline |
BuildRegions(const Topology &top, std::pair< std::string, tools::Property > options) | votca::xtp::JobTopology | |
CheckEnumerationOfRegions(const tools::Property ®ions_def) const | votca::xtp::JobTopology | private |
CreateRegions(const std::pair< std::string, tools::Property > &options, const Topology &top, const std::vector< std::vector< SegId > > ®ion_seg_ids) | votca::xtp::JobTopology | private |
end() | votca::xtp::JobTopology | inline |
end() const | votca::xtp::JobTopology | inline |
job_ | votca::xtp::JobTopology | private |
JobTopology(Job &job, Logger &log, std::string workdir) | votca::xtp::JobTopology | inline |
jobtopology_version() | votca::xtp::JobTopology | inlineprivatestatic |
log_ | votca::xtp::JobTopology | private |
ModifyOptionsByJobFile(tools::Property ®ions_def) const | votca::xtp::JobTopology | private |
PartitionRegions(const tools::Property ®ions_def, const Topology &top) const | votca::xtp::JobTopology | private |
ReadFromHdf5(std::string filename) | votca::xtp::JobTopology | |
Regions() const | votca::xtp::JobTopology | inline |
Regions() | votca::xtp::JobTopology | inline |
regions_ | votca::xtp::JobTopology | private |
ShiftPBC(const Topology &top, const Eigen::Vector3d ¢er, T &mol) const | votca::xtp::JobTopology | private |
size() const | votca::xtp::JobTopology | inline |
SortRegionsDefbyId(const tools::Property ®ions_def) const | votca::xtp::JobTopology | private |
workdir_ | votca::xtp::JobTopology | private |
WriteToHdf5(std::string filename) const | votca::xtp::JobTopology | |
WriteToPdb(std::string filename) const | votca::xtp::JobTopology |