Gromacs  2024.1
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modules Directory Reference
+ Directory dependency graph for modules:

Files

file  angle.cpp
 Implements gmx::analysismodules::Angle.
 
file  angle.h
 Declares trajectory analysis module for angle calculations.
 
file  convert_trj.cpp
 Implements gmx::analysismodules::ConvertTrj.
 
file  convert_trj.h
 Declares trajectory analysis module for trajectory conversion.
 
file  distance.cpp
 Implements gmx::analysismodules::Distance.
 
file  distance.h
 Declares trajectory analysis module for distance calculations.
 
file  dssp.cpp
 Implements gmx::analysismodules::Dssp.
 
file  dssp.h
 Declares trajectory analysis module for secondary structure asignment.
 
file  extract_cluster.cpp
 Implements gmx::analysismodules::ExtractCluster.
 
file  extract_cluster.h
 Declares trajectory analysis module for extracting frames corresponding to clusters.
 
file  freevolume.cpp
 Implements gmx::analysismodules::Freevolume.
 
file  freevolume.h
 Declares trajectory analysis module for free volume calculations.
 
file  gyrate.cpp
 Implements gmx::analysismodules::Gyrate.
 
file  gyrate.h
 Declares trajectory analysis module for distance calculations.
 
file  hbond.cpp
 Implements gmx::analysismodules::Hbond2.
 
file  hbond.h
 Declares trajectory analysis module for computation and analyzation of hydrogen bonds.
 
file  isotope.cpp
 Declares helper functions for assigning isotops from atom names.
 
file  isotope.h
 Declares helper functions for assigning isotops from atom names.
 
file  msd.cpp
 Defines the trajectory analysis module for mean squared displacement calculations.
 
file  msd.h
 Declares trajectory analysis module for Mean Squared Displacement calculations.
 
file  pairdist.cpp
 Implements gmx::analysismodules::PairDistance.
 
file  pairdist.h
 Declares trajectory analysis module for pairwise distance calculations.
 
file  rdf.cpp
 Implements gmx::analysismodules::Rdf.
 
file  rdf.h
 Declares trajectory analysis module for RDF calculations.
 
file  sasa.cpp
 Implements gmx::analysismodules::Sasa.
 
file  sasa.h
 Declares trajectory analysis module for surface area calculations.
 
file  scattering-debye-sans.cpp
 Implements class for SANS Debye Scattering.
 
file  scattering-debye-sans.h
 Declares class for SANS Debye Scattering.
 
file  scattering-debye-saxs.cpp
 Implements class for SAXS Debye Scattering.
 
file  scattering-debye-saxs.h
 Declares class for SAXS Debye Scattering.
 
file  scattering-debye.cpp
 Implementation of base class for Debye Scattering.
 
file  scattering-debye.h
 Declares base class for Debye Scattering.
 
file  scattering.cpp
 Implements gmx::analysismodules::scattering.
 
file  scattering.h
 Declares trajectory analysis module for small angle scattering calculations.
 
file  scatteringfactors.cpp
 Implements helper functions for reading structure factors from datafile.
 
file  scatteringfactors.h
 Declares helper functions for reading structure factors from datafile.
 
file  select.cpp
 Implements gmx::analysismodules::Select.
 
file  select.h
 Declares trajectory analysis module for basic selection information.
 
file  surfacearea.cpp
 
file  surfacearea.h
 
file  trajectory.cpp
 Implements gmx::analysismodules::Trajectory.
 
file  trajectory.h
 Declares trajectory analysis module for basic trajectory information.
 
file  unionfind.h
 Implements gmx::UnionFinder and gmx::MappedUnionFinder.