votca

votca

The source of the votca-csg and xtp packages

xtp

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

csg

Coarse-graining potentials from atomistic references made easy

ctp

charge transport module

csg-manual

VOTCA-CSG Coarse graining manual

tools

generic tools module

csg-tutorials

VOTCA-CSG coarse-graining tutorials

kmc

kinetic monte carlo module

multi_g_rdf

multiplexed version of g_rdf

PyVOTCA

Generic tools to interact with Votca using Python

ctp-tutorials

Charge transport tutorials

actions

VOTCA common GitHub Actions

admin

repository with admin scripts

buildenv

Votca Build environment using docker

buildutil

Votca's legacy build script

csg-testsuite

csg's old testsuite

csgapps

additional coarse-graining apps

ctp-manual

Charge transport manual

dev-tools

This repository contains tools to assist developers of the VOTCA project

downloads

Repository with legacy tarballs

doxygen

Doxygen Documentation

fedora-copr

Spec source for votca

Logos

Contains source data for VOTCA-Logos

mirror-docker-hub

moo

Molecular orbital module

vagrantbox

Vagrantbox for developing votca source code.

votca.github.io

Next-generation website

xtp-tutorials

VOTCA-XTP spectroscopy and carrier/excitation calculation tutorial

xtp_job_control

A workflow-style system to run Votca XTP