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Projects in Awesome Lists tagged with wavefunction

A curated list of projects in awesome lists tagged with wavefunction .

https://github.com/QuantumPackage/qp2

Quantum Package : a programming environment for wave function methods

chemistry computational-chemistry quantum wavefunction

Last synced: 20 Nov 2024

https://github.com/pritampanda15/siesta

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

band-structure denchar densityofstates fdf psml relaxation siesta wavefunction

Last synced: 15 Apr 2025

https://github.com/bsc-quantic/gato.jl

Schrödinger-like simulator of quantum computers

hpc quantum quantum-computing schrodinger statevector wavefunction

Last synced: 15 Mar 2025

https://github.com/abelcarreras/wfnsym

Continuous symmetry measures (CSM) of electronic wave function

csm symmetry wavefunction

Last synced: 19 Feb 2025

https://github.com/diegonti/dq

Practical session for the Quantum Dynamics course of the "Atomistic and Multiscale Computational Modelling" Master Degree. Course 2022-2023.

computational-chemistry python quantum-dynamics wavefunction

Last synced: 04 Mar 2025