Discover @aoterodelaroza Open Source projects

@aoterodelaroza

aoterodelaroza

Stars
299
Global Rank 89,312 (Top 4 %)
Followers 77
Registered over 10 years ago
Most used languages

Fortran
35.7 %

MATLAB
28.6 %

C++
14.3 %

TeX
7.1 %

Mercury 7.1 %

Awk 7.1 %

imgui-goodies

Widgets and utilities for ImGui

critic2

Analysis of quantum chemical interactions in molecules and solids.

gibbs2

Thermodynamics of solids in the quasiharmonic approximation.

nciplot

Non-covalent index plots in molecular systems.

postg

Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.

refdata

Benchmark data for density-functional theory method development.

pepconf

Benchmark and reference set for conformational energies in peptides

runwien

A text-based interface for WIEN2k.

escher

Octave routines for the manipulation and plotting of molecular and crystal structures.

emsl_basis_set_library

A mirror of the EMSL basis set library for quantum chemistry calculations

bse49

Benchmark and reference set for bond separation energies.

fudge

A text-based puzzle game written in modern Fortran.

aoterodelaroza.github.io

Software repository, the website

dcp

Development of Atom-centered-Potentials.

predictea

Calculate the mass and pressure profile of a planet given its mass and composition

acpfit

acpdb

Database interface program for the development of ACPs