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abimkdocs_abidev2019

Talk on the new documentation system of Abinit

abinit

ABINIT is an atomic-scale simulation software suite. http://www.abinit.org

abinit-feedstock

A conda-smithy repository for abinit.

abinit_gw_benchmarks

Input files to benchmark the GW part of Abinit

abiout

abipy-feedstock

A conda-smithy repository for abipy.

abipy-panel

WIP

abipy_abidev2021

abipy_htc_technical_aspects_abidev2019

abipy_imec_2022

Slides

abipy_intro_abidev2019

Introduction to Abipy (talk given at Abidev2019 workshop)

abipy_slides_aps_boston_2019

Automating ABINIT calculations with AbiPy. Boston MA, 3 March 2019

acwf-verification-scripts

Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification

atomate2

atomate2 is a library of computational materials science workflows

awesome-panel

A repository for sharing knowledge on Panel by HoloViz in order to build awesome analytics apps in Python

awesome-panel-extensions

The purpose of this repository is to make it as easy as possible to develop and use awesome Panel extensions.

bash-it

A community bash framework.

betterbib

Update BibTeX file with info from online resources.

bokeh

Interactive Data Visualization in the browser, from Python

cecam_tutorial_2017

d_gw

deltacodesdft

Scripts needed to generate the Delta factor for two solid state DFT codes within the PBE formalism

df_widgets

Collection of IPython widgets for analysing results stored in pandas DataFrames

dotfiles

:wrench: .files, including ~/.osx — sensible hacker defaults for OS X

drmaa-python

Python wrapper around the C DRMAA library.

easybuild-easyblocks

Collection of easyblocks that implement support for building and installing software with EasyBuild.

easybuild-easyconfigs

A collection of easyconfig files that describe which software to build using which build options with EasyBuild.

electronic-structure-visualization

Visualizations

emmet

Be a master builder of databases of material properties. Avoid the Kragle.

fireworks

The Fireworks Workflow Management Repo.