aslozada

kanon

Program to compute chirality indices and assess molecular symmetry

forsynth

A small Fortran synthesizer to explore sound synthesis, sound effects, electronic music, algorithmic music, etc. Humbly follow the steps of Stockhausen, Kraftwerk and the Daft Punk!

melquiades

Monte Carlo program for simulation of multicomponent systems using arbitrary potential models

cp2k

Quantum chemistry and solid state physics software package

tc

Display the VMD "dynamic" Field (beta, charge, occupancy, ...)

xtb

Semiempirical Extended Tight-Binding Program Package

crest

CREST - A program for the automated exploration of low-energy molecular chemical space.

forcolormap

A Fortran fpm library for colormaps

fortran-lang.org

Fortran website

fpm

Fortran Package Manager (fpm)

fpm-docs

(Unofficial) documentation repository for the Fortran package manager (fpm)

fpm-logo

Drafts for the logo of the Fortran package manager (unofficial)

kmeans

latex_ppgq

UNOFFICIAL latex template for master's and doctoral thesis in concordance with instruction from PPGQ-UFSCar https://www.ppgq.ufscar.br/regimentos-normas/normas-redacao-dissertacao-e-tese

nlopt-f

Fortran bindings for the NLopt library

packmol

Packmol - Initial configurations for molecular dynamics simulations

python_scripts

Python scripts that we use in the laboratory.

qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

sas_grid

Simulation

This repository contains a collection of documents related to computational simulation in chemistry, condensed matter physics, and materials science. TODO!

stdlib

Fortran Standard Library

Stress_tensor

Patch to calculate the stress tensor matrix in Multiwfn.

themis

toml-f

TOML parser implementation for data serialization and deserialization in Fortran