ChemTools

ChemTools Download

A collection of packages for object oriented chemistry. The primary packages implement an object and data framework. Support is included for basic spectroscopy and a few different external programs. A moderately sophisticated discrete variable representation framework is included as well.


Basic Information

Name

ChemTools

Version

1.4.1

Creator

b3m2a1@gmail.com

Extra Information

This package provides no extra information


Extensions

Kernel

  • Root: .
  • Context: ChemTools`

FrontEnd

  • This extension has no extra parameters

Formats

  • This extension has no extra parameters

Resource

  • Root: Resources
  • Resources
    • Datasets
    • Extensions
    • Icons
    • PaletteGenerators
    • Templates
    • {ChemAtomColors, Datasets/ChemAtomColors.wl}
    • {ChemBondDistances, Datasets/ChemBondDistances.wl}
    • {ChemConstants, Datasets/ChemConstants.wl}
    • {ChemCustomAtoms, Datasets/ChemCustomAtoms.wl}
    • {ChemElements, Datasets/ChemElements.wl}
    • {ChemElementValences, Datasets/ChemElementValences.wl}
    • {ChemIsotopicMasses, Datasets/ChemIsotopicMasses.wl}
    • {ChemUnitConversions, Datasets/ChemUnitConversions.wl}
    • {ContinuousSpectrumIcon, Icons/ContinuousSpectrumIcon.png}
    • {DiscreteSpectrumIcon, Icons/DiscreteSpectrumIcon.png}
    • {DVRIcon, Icons/DVRIcon.png}
    • {OpenBabelIcon, Icons/OpenBabelIcon.png}
    • {PacletIconBig, Icons/PacletIconBig.png}
    • {Psi4Icon, Icons/Psi4Icon.png}
    • {Psi4RunIcon, Icons/Psi4RunIcon.png}
    • {DVRManagerGenerator, PaletteGenerators/DVRManagerGenerator.nb}
    • {DVRNotebook, Templates/DVRNotebook.nb}
    • {DVR, Extensions/DVR}
    • {Classes, Extensions/DVR/Classes}
    • {Instances, Extensions/DVR/Instances}
    • {KineticEnergy, Extensions/DVR/KineticEnergy}
    • {PotentialEnergy, Extensions/DVR/PotentialEnergy}
    • {Wavefunctions, Extensions/DVR/Wavefunctions}
    • {WSim, Extensions/WSim}
  • SystemID: *