votca 2024-dev
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votca::xtp::JobTopology Member List

This is the complete list of members for votca::xtp::JobTopology, including all inherited members.

begin()votca::xtp::JobTopologyinline
begin() constvotca::xtp::JobTopologyinline
BuildRegions(const Topology &top, std::pair< std::string, tools::Property > options)votca::xtp::JobTopology
CheckEnumerationOfRegions(const tools::Property &regions_def) constvotca::xtp::JobTopologyprivate
CreateRegions(const std::pair< std::string, tools::Property > &options, const Topology &top, const std::vector< std::vector< SegId > > &region_seg_ids)votca::xtp::JobTopologyprivate
end()votca::xtp::JobTopologyinline
end() constvotca::xtp::JobTopologyinline
job_votca::xtp::JobTopologyprivate
JobTopology(Job &job, Logger &log, std::string workdir)votca::xtp::JobTopologyinline
jobtopology_version()votca::xtp::JobTopologyinlineprivatestatic
log_votca::xtp::JobTopologyprivate
ModifyOptionsByJobFile(tools::Property &regions_def) constvotca::xtp::JobTopologyprivate
PartitionRegions(const tools::Property &regions_def, const Topology &top) constvotca::xtp::JobTopologyprivate
ReadFromHdf5(std::string filename)votca::xtp::JobTopology
Regions() constvotca::xtp::JobTopologyinline
Regions()votca::xtp::JobTopologyinline
regions_votca::xtp::JobTopologyprivate
ShiftPBC(const Topology &top, const Eigen::Vector3d &center, T &mol) constvotca::xtp::JobTopologyprivate
size() constvotca::xtp::JobTopologyinline
SortRegionsDefbyId(const tools::Property &regions_def) constvotca::xtp::JobTopologyprivate
workdir_votca::xtp::JobTopologyprivate
WriteToHdf5(std::string filename) constvotca::xtp::JobTopology
WriteToPdb(std::string filename) constvotca::xtp::JobTopology