Pinned Repositories
Fermi.jl
Fermi quantum chemistry program
GaussianBasis.jl
Package to handle integrals over Gaussian-type atomic orbitals.
Molecules.jl
Library that handles atom structures as XYZ files and properties derived from it.
Alchemy.jl
chem8950
Projects for Advanced Quantum Chemistry class Spring 2020
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.
Fermi.jl
Fermi quantum chemistry program
Tchau-Spin
Auxiliar tool to spin integrate Coupled Cluster equations
gustavojra's Repositories
gustavojra/Alchemy.jl
gustavojra/chem8950
Projects for Advanced Quantum Chemistry class Spring 2020
gustavojra/Fermi.jl
Fermi quantum chemistry program
gustavojra/Tchau-Spin
Auxiliar tool to spin integrate Coupled Cluster equations
gustavojra/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.
gustavojra/DelocalizationCriteria
Python module to compute transport phase diagrams.
gustavojra/Documenter.jl
A documentation generator for Julia.
gustavojra/GaussianBasis.jl
Package to handle integrals over Gaussian-type atomic orbitals.
gustavojra/gustavojra
gustavojra/jlcode
A latex package for displaying Julia code with the listings package
gustavojra/JuES.jl
Quantum chemical simulation in Julia
gustavojra/julia
The Julia Programming Language
gustavojra/Julia.jl
Curated decibans of Julia programming language.
gustavojra/JuliaMolSim_logo
playing around with a logo for the org!
gustavojra/libcint
general GTO integrals for quantum chemistry
gustavojra/Lints.jl
Libint2 interface to Julia
gustavojra/Methods
Methods in Quantum Chemistry using PSI4 interface
gustavojra/Molecules.jl
gustavojra/PolaritonicSystems.jl
Toolbox for representing and computing observables of polaritonic systems.
gustavojra/Presentations
Collection of snippets I use to plot stuff for presentations
gustavojra/Quax
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
gustavojra/RandomNotes
Some random notes I
gustavojra/SecondQuantization
gustavojra/SimpleMock.jl
A basic mocking module
gustavojra/StoTrace
gustavojra/TBLIS.jl
Julia wrapper for TBLIS tensor contraction library.
gustavojra/TensorOperations.jl
Julia package for tensor contractions and related operations
gustavojra/TermSymbols
Quick Julia script to get Atoms term symbols, use to cheat on Quantum classes
gustavojra/Tutorials
Collection of tutorials from basic programming to relevant theory
gustavojra/vimrc
The ultimate Vim configuration (vimrc)