‌

ChemTools

ChemTools

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.

‌

Install

Before installing, be sure to check out the Change Log to make sure that you trust the developer.

To install this paclet, run: 

 << https://paclets.github.io/PacletServer/Install.wl
PublicPacletInstall["ChemTools"]
  • To update it, replace PublicPacletInstall with PublicPacletUpdate .
‌

Basic Information

‌

Name

ChemTools

‌

Version

1.4.2

‌

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: *