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votca 2026-dev
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Go to the source code of this file.
Classes | |
| class | votca::xtp::TrapFinder |
| Identifies traps (single sites or clusters) of a charge transport network from the slow modes of the master equation, after Chen, van der Hoorn and Baumeier (spectral clustering of molecular charge transport networks). More... | |
| struct | votca::xtp::TrapFinder::Settings |
| struct | votca::xtp::TrapFinder::Trap |
| struct | votca::xtp::TrapFinder::Result |
Namespaces | |
| namespace | votca |
| Provides a means for comparing floating point numbers. | |
| namespace | votca::xtp |
| Charge transport classes. | |
Macros | |
| #define | VOTCA_XTP_TRAPFINDER_H |
| #define VOTCA_XTP_TRAPFINDER_H |
Definition at line 22 of file trapfinder.h.