CDTK

• CDTK package
  • Subpackages
    • CDTK.Dynamics package
      • Subpackages
      • Submodules
      • Module contents
    • CDTK.Interfaces package
      • Submodules
      • Module contents
    • CDTK.Models package
      • Submodules
      • Module contents
    • CDTK.Tools package
      • Submodules
      • Module contents
  • Submodules
    • CDTK.an_absorptionCS module
    • CDTK.an_coord module
      • start()
    • CDTK.an_coreEnergies module
    • CDTK.an_getHessian module
      • start()
    • CDTK.an_plt_rho1D module
      • start()
    • CDTK.an_plt_rho2D module
      • start()
    • CDTK.an_runall module
      • start()
    • CDTK.an_traj2vtf module
      • start()
    • CDTK.an_waterGeom module
      • start()
    • CDTK.analyze module
      • angle()
      • bootstrap()
      • charge()
      • correlation_function()
      • doFourrier()
      • doParse()
      • getBins()
      • getParser()
      • kinetic()
      • observable()
      • operate()
      • outputBins()
      • outputData()
      • outputNtraj()
      • position()
      • red()
      • spec()
      • start()
      • state()
      • velocity()
    • CDTK.cdtk2hdf5 module
      • parseCommandLine()
      • readAtomData()
      • readChargeLog()
      • readCoefLog()
      • readCoordLog()
      • readCurrentChargeLog()
      • readDir()
      • readEnergyLog()
      • readEventLog()
      • readLog()
      • readOccLog()
      • readPulseLog()
      • readStateLog()
      • readTrivCrossLog()
      • readVadLog()
      • start()
    • CDTK.cdtk2xyz module
      • get_arg()
      • start()
    • CDTK.gmx2cdtk module
      • atomName2Element()
      • atomName2atomMass()
      • atomName2atomNum()
      • get_coord_center()
      • get_parser()
      • makeResiduesWhole()
      • print_geom_files()
      • print_xpyder()
      • print_xsample()
      • readgmx()
      • readtrr()
      • shift_box()
      • sort_molec()
      • start()
      • writegmx()
      • writetrr()
    • CDTK.gmxtopol2ffclass module
      • get_arg()
      • parse_top()
      • start()
    • CDTK.xmodel module
      • start()
      • terminate()
    • CDTK.xpyder module
      • start()
    • CDTK.xsample module
      • start()
  • Module contents