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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
  • Installation

Installation#

rgmol can be installed using pip:

pip install rgmol

This wil automatically install the depedencies :

  • numpy

  • scipy

  • periodictable

  • pyvista

  • matplotlib

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