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cp2k

Quantum chemistry and solid state physics software package

crest

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

forcolormap

A Fortran fpm library for colormaps

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!

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)

kanon

Program to compute chirality indices and assess molecular symmetry

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

melquiades

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

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.

tc

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

themis

toml-f

TOML parser implementation for data serialization and deserialization in Fortran

xtb

Semiempirical Extended Tight-Binding Program Package