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Showing results

Remove specific Latex commands with curly brackets.

Python 2 1 Updated Jun 14, 2023

molecular point group symmetry lib

C 73 33 Updated Jun 15, 2024

QuAcK: a software for emerging quantum electronic structure methods

Fortran 22 8 Updated Aug 18, 2024

Fortran 2018 interface bindings to zlib

Fortran 9 1 Updated Mar 3, 2024

Python Interface to Slurm

Cython 471 116 Updated Jul 14, 2024

Natural transition orbitals for CIS type wave functions.

Fortran 3 1 Updated May 31, 2024

Code for my talks on the No Boilerplate channel

HTML 3,239 148 Updated Jul 27, 2024

Create markdown-based reveal.js presentations in Obsidian

TypeScript 963 82 Updated Jun 29, 2024

SMARTool: The Strategic Mastery of Russian Tool.

HTML 8 1 Updated Sep 16, 2022

Generic input parsing library, speaking in tongues.

Python 7 2 Updated Nov 6, 2022

🎤 Serving presentation slides written in Markdown.

JavaScript 55 17 Updated Oct 9, 2023

⚡️Optimizing einsum functions in NumPy, Tensorflow, Dask, and more with contraction order optimization.

Python 834 68 Updated Jul 14, 2024

Algorithms for matrix matrix multiplication, dgemm, AVX-256, AVX-512

C++ 13 2 Updated Jun 21, 2021

Julia package to do symbolic spin adapted second quantization.

Julia 7 5 Updated Jun 4, 2024

🎬 Numerically tolerant end-to-end test library for research software.

Python 22 6 Updated Jun 22, 2023

TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis

Python 28 8 Updated Jul 16, 2024

auto-formatter for modern fortran source code

Python 368 73 Updated Jul 6, 2024

Generates the PyPi wheels for findent

CMake 22 1 Updated Aug 5, 2024

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

C++ 225 95 Updated Aug 2, 2024
CMake 2 Updated Nov 22, 2021

Symbolic manipulation of operator strings for quantum chemistry

Python 17 12 Updated Jan 10, 2023

public version of our general contraction code project

Fortran 8 3 Updated Mar 21, 2024

quantum chemistry common driver and databases

Python 15 10 Updated Dec 6, 2022

Fermi quantum chemistry program

Julia 134 24 Updated Apr 8, 2024

Fortran 2018 standard examples with broad applications

Fortran 393 68 Updated Jul 30, 2024

Parallel Fortran Unit Testing Framework

Fortran 171 44 Updated Jul 12, 2024

A simple script that parses Fortran files and gives feedback on a few metrics relating to code quality

Python 2 3 Updated Feb 3, 2023