alexancp

noboilerplate

Code for my talks on the No Boilerplate channel

obsidian-advanced-slides

Create markdown-based reveal.js presentations in Obsidian

opt_einsum

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

pyslurm

Python Interface to Slurm

fortran2018-examples

Fortran 2018 standard examples with broad applications

fprettify

auto-formatter for modern fortran source code

libint

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

pFUnit

Parallel Fortran Unit Testing Framework

Fermi.jl

Fermi quantum chemistry program

libmsym

molecular point group symmetry lib

cicero

:microphone: Serving presentation slides written in Markdown.

theodore-qc

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

runtest

:clapper: Numerically tolerant end-to-end test library for research software.

findent-pypi

Generates the PyPi wheels for findent

QuAcK

QuAcK: a software for emerging quantum electronic structure methods

wick

Symbolic manipulation of operator strings for quantum chemistry

qcdb

quantum chemistry common driver and databases

matrix-matrix-multiply

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

fortran-zlib

Fortran 2018 interface bindings to zlib

smartool-rus-eng

SMARTool: The Strategic Mastery of Russian Tool.

GeCCo-public

public version of our general contraction code project

parselglossy

Generic input parsing library, speaking in tongues.

SpinAdaptedSecondQuantization.jl

Julia package to do symbolic spin adapted second quantization.

cis_nto

Natural transition orbitals for CIS type wave functions.

fortran-code-quality

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

Latex_command_remove

Remove specific Latex commands with curly brackets.

fortran-tensor-library