votca 2024.2-dev
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votca::xtp::Topology Member List

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

AddSegment(std::string segment_name)votca::xtp::Topology
AutoDetectBoxType(const Eigen::Matrix3d &box)votca::xtp::Topologyprivate
bc_votca::xtp::Topologyprivate
BoxVolume() constvotca::xtp::Topologyinline
FindAllSegmentsOnMolecule(const Segment &seg1, const Segment &seg2) constvotca::xtp::Topology
getBox() constvotca::xtp::Topologyinline
getSegment(Index id)votca::xtp::Topologyinline
getSegment(Index id) constvotca::xtp::Topologyinline
GetShortestDist(const Segment &seg1, const Segment &seg2) constvotca::xtp::Topology
getStep() constvotca::xtp::Topologyinline
getTime() constvotca::xtp::Topologyinline
NBList()votca::xtp::Topologyinline
NBList() constvotca::xtp::Topologyinline
nblist_votca::xtp::Topologyprivate
operator=(const Topology &top)votca::xtp::Topology
PbShortestConnect(const Eigen::Vector3d &r1, const Eigen::Vector3d &r2) constvotca::xtp::Topology
ReadFromCpt(CheckpointReader &r)votca::xtp::Topology
Segments()votca::xtp::Topologyinline
Segments() constvotca::xtp::Topologyinline
segments_votca::xtp::Topologyprivate
setBox(const Eigen::Matrix3d &box, csg::BoundaryCondition::eBoxtype boxtype=csg::BoundaryCondition::typeAuto)votca::xtp::Topology
setStep(Index step)votca::xtp::Topologyinline
setTime(double time)votca::xtp::Topologyinline
step_votca::xtp::Topologyprivate
time_votca::xtp::Topologyprivate
Topology()=defaultvotca::xtp::Topology
Topology(const Topology &top)votca::xtp::Topology
topology_version()votca::xtp::Topologyinlineprivatestatic
WriteToCpt(CheckpointWriter &w) constvotca::xtp::Topology
WriteToPdb(std::string filename) constvotca::xtp::Topology
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