Kristjan Eimre's repositories
phase-field-crystal-mpi
Phase-field crystal solidification simulation codes (mpi C++ and python)
tb-mean-field-hubbard
Python code for solving the tight-binding mean field Hubbard hamiltonian
dealii-field-currents-heating
FEM code for electric field, electric currents and heating calculations
py-simple-fem-elstatics
Simple Python electrostatics finite element method implementation with a GUI
optimade-tutorial-exercises
Tutorial exercises for the OPTIMADE API
aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
aiida-core
The official repository for the AiiDA code
aiida-cp2k
The CP2K plugin for the AiiDA workflow and provenance engine.
aiida-deepmd
aiida plugin of deepmd
aiida-optimade
OPTIMADE RESTful API implementation for AiiDA
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiida-registry
Find plugins for AiiDA
aiidalab-aiida
AiiDA Lab Application for managing AiiDA
aiidalab-registry
Central app registry for jupyter.materialscloud.org
aiidalab-widgets-base
AiiDA widgets for AiiDA lab applications
asm-c-sort-comparison
Compare sorting algorithms implemented in assembly and C
cclib
Parsers and algorithms for computational chemistry logfiles
cclib-data
Computational chemistry logfiles used as regression tests by cclib
disk-objectstore
An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
mc-ising
Monte Carlo Ising model
ProbeParticleModel
classical forcefiled model for simulation atomic force microscopy images
providers
This repository hosts the providers.json file for OPTIMADE that lists reserved database-specific prefixes and URLs to the index databases of all database providers that participate in the OPTIMADE network
pybinding
Scientific Python package for tight-binding calculations in solid state physics
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
tgkp
A widget for the calculation and visualization of twisted multilayer graphene systems powered by Dash.
Transport_app
TBETA (Tight-Binding Electronic Transport Application) for graphene nanoribbon junctions.
voila-optimade-client
Import structures in AiiDA lab using OPTIMADE