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ansible_gnome_gui_role

A role that can be inserted in an ansible playbook to get a very basic gnome-gui installed

arangocurlscripts

Scripts to query Arango using Curl for testing

c_bitarray

A C library for manipulating arrays of bits.

c_matrix

Matrix library written in c

c_mpi_ghost_matrix

A matrix library built specifically for integration with MPI.

cnt_tools

This is a matlab repository for numerically creating and outputting the DOS of a CNT of any chirality

conwaysgameoflife

cpp-py-formatter

cpp_bitarray

BitArray Class designed to work with c++

cpp_converterclass

Generic Converter class, for converting between different classes.

cpp_fragmentclass

cpp_molecular_pattern_recognition

This library is designed to take molecular structures given in .pdb file format and determine where there are patterns in the molecule i.e. motifs and fragments

curator

Curator/HS is a simple script that allows one to generate HTML image galleries with the intent of displaying photographic images on the Web, or for a CD-ROM presentation, or for archiving.

dftbplus

DFTB+ general package for performing fast atomistic simulations

docs

The open-source repo for docs.github.com

drachennest

Different algorithms for converting binary to decimal floating-point numbers

excimontec

Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials and devices, such as OPVs, OLEDs, and more.

github-app-example

gitlabmirrordemo

A trivial demo to show how to set up a GitLab Mirror

globus-connect-server-deploy

Deployment tools for Globus Connect Server

hello-github-actions

hieroglyphic

GitHub Action for automatically creating documentation for code containing Doxygen comments or doc strings.

intermol

Conversion tool for molecular simulations

jh-kubernetes-vagrant

Vagrantbox for setting up a cluster, to run a jupyterhub server and a kubernetes cluster where jupyterhub can spawn notebooks on the kubernetes cluster.

joshuasbrown.github.io

“The man who moves a mountain begins by carrying away small stones.” Confucius, Confucius: The Analects

lammps

Public/backup repository of the LAMMPS MD software package

langmuir

Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells

leap

A general purpose Library for Evolutionary Algorithms in Python.

libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

mamap

Magic Argument Parser (MAP) Remake the wheel, argument parser. Why? Don't ask...