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rgmol 0.1 documentation

  • Tutorials
  • rgmol API
  • Tutorials
  • rgmol API

Section Navigation

  • Installation
  • Quick Start
  • Grids
  • Data Structure
  • Visualization of Properties
  • Orbitals Plotting
  • CDFT Descriptors
  • Diagonalization of Kernels
  • Dipole Moments
  • Writing and Reading
  • Multithreading
  • List of Output Examples
    • ADF Output Examples
    • Orca Output Examples
    • molden Output Examples
    • Cube Files Examples
  • Example Script
  • Tutorials

Tutorials#

Getting Started#

  • Installation

  • Quick Start

  • Grids

  • Data Structure

Plotting Methods#

  • Visualization of Properties

  • Orbitals Plotting

  • CDFT descriptors

  • Diagonalization of Kernels

  • Dipole moment

Writing and Reading#

  • Writing and Reading Files

Multithreading#

  • Multithreading

Additional Informations#

  • Output Examples

  • Example Script

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Installation

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