pyCADMium

Documentation

Pssolver¶

CADMium.Pssolver(grid, Nmo, N, optSolver={})[source]¶: Generates an array of solvers of shape Nmo[0]xNmo[1]

CONTENTS:

Installation
The Coordinate System
- Symmetry Considerations
- Discretization
Getting Started
- Molecules in the PSgrid
- Kohn-Sham calculation
API Documentation
- CADMium Package

GRID EXAMPLES:

Generating a basic Grid
How to genererate pyCADMiums logo?

KOHN-SHAM DFT EXAMPLES:

CCCBDB LDA Energy: Etot -112.748985

source

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