#include <tofgraph.h>
Public Attributes | |
| Index | axis = 0 |
| box vector across which the periodicity is cut (0: a, 1: b, 2: c) | |
| double | source_thickness = 0.0 |
| double | sink_thickness = 0.0 |
| std::string | source_pattern = "" |
| std::string | sink_pattern = "" |
| bool | bulk = false |
| std::vector< std::string > | ignore_types |
| segment type wildcards of segments without edges | |
Detailed Description
Definition at line 79 of file tofgraph.h.
Member Data Documentation
◆ axis
| Index votca::xtp::ToFGraph::Options::axis = 0 |
box vector across which the periodicity is cut (0: a, 1: b, 2: c)
Definition at line 81 of file tofgraph.h.
◆ bulk
| bool votca::xtp::ToFGraph::Options::bulk = false |
bulk: no cut (periodic in all three directions), no sinks; slab thicknesses and the sink pattern must then be empty, axis is unused
Definition at line 92 of file tofgraph.h.
◆ ignore_types
| std::vector<std::string> votca::xtp::ToFGraph::Options::ignore_types |
segment type wildcards of segments without edges
Definition at line 94 of file tofgraph.h.
◆ sink_pattern
| std::string votca::xtp::ToFGraph::Options::sink_pattern = "" |
Definition at line 89 of file tofgraph.h.
◆ sink_thickness
| double votca::xtp::ToFGraph::Options::sink_thickness = 0.0 |
Definition at line 85 of file tofgraph.h.
◆ source_pattern
| std::string votca::xtp::ToFGraph::Options::source_pattern = "" |
segment type wildcards (empty: no pattern criterion) if slab and pattern are both given, a site must satisfy both
Definition at line 88 of file tofgraph.h.
◆ source_thickness
| double votca::xtp::ToFGraph::Options::source_thickness = 0.0 |
slab criteria: thickness of the source/sink slab along the normal (0: no slab criterion)
Definition at line 84 of file tofgraph.h.
The documentation for this struct was generated from the following file:
- xtp/include/votca/xtp/tofgraph.h
