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Showing results

Collection of scientific old books digitized into LaTeX.

TeX 41 13 Updated May 27, 2022

I can't believe it's NonAbelian!

Python 33 10 Updated May 26, 2026

Quantum information-assisted orbital optimization package.

Python 7 1 Updated Sep 26, 2024

Old Standard font family

46 9 Updated Mar 31, 2017

PDFBeads -- convert scanned images to a single PDF file

Ruby 6 1 Updated Jul 29, 2025

sneg is a Mathematica package for performing algebraic calculation with non-commuting operators in many-particle physics

Wolfram Language 64 10 Updated Feb 26, 2026

Software package to handle the many-fermionic operator

Python 16 10 Updated Jul 30, 2013

molecular point group symmetry lib

C 90 36 Updated Aug 20, 2024

ERKALE -- HF/DFT from Hel

C++ 54 19 Updated Jun 18, 2026

A library for X-ray spectrum simulation

Python 7 1 Updated Jun 15, 2023

Tools for calculating MCD spectra with OpenMolcas

Fortran 9 5 Updated Apr 25, 2026

parallel joint diagonlization

Python 7 3 Updated Feb 19, 2020

C++ FCIQMC Implementation

C++ 13 1 Updated Nov 8, 2024

State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI

Python 14 3 Updated Oct 29, 2025
Python 16 4 Updated Jun 17, 2026

Efficient parallel quantum chemistry DMRG in MPO formalism

C++ 117 33 Updated May 29, 2026

python3 interface for DMRG code block 1.5.3

C 6 2 Updated Jun 4, 2021
Java 2 1 Updated Mar 9, 2020

Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

Fortran 57 21 Updated May 18, 2026

Brilliantly Advanced General Electronic-structure Library

C++ 121 45 Updated Mar 31, 2025
C 11 12 Updated Mar 13, 2021

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.

C 36 33 Updated Aug 28, 2023

Python module for quantum chemistry

Python 1,611 699 Updated Jun 17, 2026