Gustavo Aroeira's repositories
Tchau-Spin
Auxiliar tool to spin integrate Coupled Cluster equations
COSMO.jl
COSMO: Accelerated ADMM-based solver for convex conic optimisation problems (LP, QP, SOCP, SDP, ExpCP, PowCP). Automatic chordal decomposition of sparse semidefinite programs.
DelocalizationCriteria
Python module to compute transport phase diagrams.
Documenter.jl
A documentation generator for Julia.
GaussianBasis.jl
Package to handle integrals over Gaussian-type atomic orbitals.
jlcode
A latex package for displaying Julia code with the listings package
JuES.jl
Quantum chemical simulation in Julia
julia
The Julia Programming Language
Julia.jl
Curated decibans of Julia programming language.
JuliaMolSim_logo
playing around with a logo for the org!
libcint
general GTO integrals for quantum chemistry
Lints.jl
Libint2 interface to Julia
Methods
Methods in Quantum Chemistry using PSI4 interface
PolaritonicSystems.jl
Toolbox for representing and computing observables of polaritonic systems.
Presentations
Collection of snippets I use to plot stuff for presentations
Quax
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
RandomNotes
Some random notes I
SimpleMock.jl
A basic mocking module
TBLIS.jl
Julia wrapper for TBLIS tensor contraction library.
TensorOperations.jl
Julia package for tensor contractions and related operations
TermSymbols
Quick Julia script to get Atoms term symbols, use to cheat on Quantum classes
Tutorials
Collection of tutorials from basic programming to relevant theory
vimrc
The ultimate Vim configuration (vimrc)