Pinned Repositories
ASII
The Adaptive Subspaces by Integral Importance (ASII) is an algorithm written in C language that was created to make numerical integrations for electron density described by the linear combination of atomic orbitals (LCAO). Uses OpenMP and allows a good load balancing of the parallel computation.
aux-embedding
Projects a periodic (or quasi-periodic) electron density in an auxiliary Gauss-Hermite electron density
ChemBOS
code-examples
A collection of code examples from blog posts etc.
JOYSpectra
renaldo.mourajr
renaldo.mourajr.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
renaldotmjr
renaldotmjr.github.io
tg-sim
Set of programs to perform the obtention of the Spectroscopic terms from an input electron configuration. Also, Given a spectroscopic term and a point group, the code evaluates the reducible representation and decomposes it in the irreducible representations.
renaldotmjr's Repositories
renaldotmjr/ASII
The Adaptive Subspaces by Integral Importance (ASII) is an algorithm written in C language that was created to make numerical integrations for electron density described by the linear combination of atomic orbitals (LCAO). Uses OpenMP and allows a good load balancing of the parallel computation.
renaldotmjr/aux-embedding
Projects a periodic (or quasi-periodic) electron density in an auxiliary Gauss-Hermite electron density
renaldotmjr/tg-sim
Set of programs to perform the obtention of the Spectroscopic terms from an input electron configuration. Also, Given a spectroscopic term and a point group, the code evaluates the reducible representation and decomposes it in the irreducible representations.
renaldotmjr/ChemBOS
renaldotmjr/code-examples
A collection of code examples from blog posts etc.
renaldotmjr/JOYSpectra
renaldotmjr/renaldo.mourajr
renaldotmjr/renaldo.mourajr.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
renaldotmjr/renaldotmjr
renaldotmjr/renaldotmjr.github.io
renaldotmjr/renaldotmjr2