stggh / PyDiatomic
PyDiatomic solves the time-independent coupled-channel Schroedinger equation using the Johnson renormalized Numerov method. This is very compact and stable algorithm.
☆16Updated 2 weeks ago
Alternatives and similar repositories for PyDiatomic:
Users that are interested in PyDiatomic are comparing it to the libraries listed below
- General Relativistic Atomic Structure Package☆66Updated 2 months ago
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆10Updated last month
- Lattice gas Monte Carlo simulation code☆31Updated 4 years ago
- A python script that solves the one dimensional time-independent Schrodinger equation for bound states. The script uses a Numerov method…☆71Updated 4 years ago
- Quantum Mechanics and Schrodinger Equation Solvers in Python.☆56Updated 4 years ago
- A Python package for multipole expansions of electrostatic or gravitational potentials☆43Updated 3 months ago
- ☆19Updated last month
- Finite DIfference microMAGnetic code, based on Python, Cython and C☆62Updated 4 months ago
- Python library to compute different properties of tight binding models☆32Updated 3 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆48Updated last week
- Python framework for generating and validating pseudo potentials☆42Updated last year
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and tr…☆32Updated last year
- A poor man's density functional theory program☆13Updated 5 months ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated 8 months ago
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆31Updated 2 months ago
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆56Updated 6 years ago
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Updated 9 years ago
- A simulation package of phonon-phonon interaction related properties☆136Updated last week
- This repository contains several sets of many-body codes developed by Morten Hjorth-Jensen and collaborators. The codes follow the GNU G…☆34Updated 2 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆45Updated last year
- This is the official GPL repository of the yambo code☆107Updated this week
- Jupyter Python Notebooks of "Computational Physics", Landau, Paez, Bordeianu☆42Updated 8 years ago
- Matrix elements of NN+3N interactions based on chiral effective field theory☆21Updated 7 months ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Updated 2 years ago
- A tool for creating and manipulating tight-binding models.☆38Updated last month
- Python-Fortran bindings examples☆53Updated 2 months ago
- A survey of computational physics problems in Python. Includes quantum mechanics, electrostatics, ODEs, PDEs, Monte Carlo, Fourier analy…☆59Updated 9 years ago
- Course at the graduate level on Quantum mechanics for many-particle systems. The link to lecture notes in the form of a jupyter-book is …☆48Updated this week
- Open source stochastic quantum chemistry☆74Updated 3 months ago