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smop

Small Matlab to Python compiler

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

spfft

Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support

spread

Diffusion solver, written for HPCSE II (2013)

sssp-protocol

This repository contains all the necessary workflows and tools in order to run the SSSP (standard solid state pseudopotential) protocol for testing pseudopotentials.

sssp-verify-scripts

scripts of submitting and post-process sssp verification run

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

test-issue-template

tools-barebone

A framework to develop apps that can be contributed in the Work/Tools section of the Materials Cloud

tools-seekpath

Online web version of the seekpath tool (using the tools-barebone framework)

topika

A simple tornado event loop wrapper for pika

topika-feedstock

A conda-smithy repository for topika.

topological_pipelines_for_porous_materials

This is a code to compute topological invariant of nano porous materials

training

Invenio v3 Training Material

transport_app

TBETA (Tight-Binding Electronic Transport Application) for graphene nanoribbon junctions.

ubuntu-docker-base

Docker base image for ansible provisioning using Ubuntu

upf-schema

An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite

util-programs

Utilities for manipulating Gaussian cube files for scanning tunneling microscopy/spectroscopy

voileb

voro

Voro++: a three-dimensional Voronoi cell library in C++

voro-feedstock

A conda-smithy repository for voro.

wfl

A Simple Way of Creating Job Workflows in Go running in Processes, Containers, Tasks, Pods, or Jobs

workflowscommunity.github.io

The goal of the Workflows Community Initiative (WCI) is to bring the workflows community together (users, developers, researchers, and facilities) to provide community resources and capabilities to enable scientists and workflow systems developers to discover software products, related efforts, events, technical reports, etc. and engage in community-wide efforts to tackle workflows grand challenges.

yambo-feedstock

A conda-smithy repository for yambo.

zeopp-lsmo-feedstock

A conda-smithy repository for zeopp-lsmo.

zhinst-toolkit

Generic high-level interfaces for Zurich Instruments devices