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sciword

Open source Scientific Word (from MacKichan Software, Inc.)

scsbz

Mean-field self-consistent equations for slave-boson superconductivity.

seebeck_effect_in_nanoscale_devices

Numerical calculation of thermoelectric properties in molecular devices

sfitpy

Single-lens microlensing event fitting program

shengbte

An interface between CASTEP and ShengBTE

shot-noise-in-nano-tunneling-junctions

simple

A new repository (with deleted history) in preparation for release 3.0 of SIMPLE

simpledqmc

simulations

Simulations for quantum systems governed by non hermitian Hamiltonians written in python using NumPy and MatPlotLib.

sisl

Scientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)

skyrmion-model

python code modelling skyrmion dynamics

slabmaker

Build slab models for crystal surfaces.

slurm

Slurm: A Highly Scalable Workload Manager

smact

Python package to aid materials design

sod

Site-Occupation Disorder

spacegroupirep

A mathematica package for irreducible representations of space group

spartan

Distributed Numpy

spglib

C library for finding and handling crystal symmetries

spin-chain-frg

Fortran codes for the solution of functional renormalization group flow equations for a Heisenberg spin chain

spin-hall-w90

Wannier90 code with the ability to calculate Spin Hall Conductivity

spin-texture-vasp

Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures

spirit

Atomistic Spin Simulation Framework

stb

Simple Tight-binding

stda

stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)

stdlib

Fortran Standard Library

sternheimergw

many-body perturbation theory without empty states

strainfieldsintwistedbilayergraphene

Data analysis code used in the paper "Strain Fields in Twisted Bilayer Graphene"

sumo

Heavyweight plotting tools for ab initio calculations

supercell

The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

symmetry_representation

Describing and constructing symmetry operations and their representations.