Pinned Repositories
acons
A modern C++ header-only library for constructing N-dimensional arrays
aiida-adamant
AiiDA plugin for performing alloy modelling with Green's function based DFT methods
atomicdftpp
Solving atomic DFT
lsms
LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
Madelung
Madelung matrix for LSMS
MuST
Multiple Scattering Theory code for first principles calculations
ParallelSample
example for parallel computation
pmu2022's Repositories
pmu2022/lsms
LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
pmu2022/Madelung
Madelung matrix for LSMS
pmu2022/MuST
Multiple Scattering Theory code for first principles calculations
pmu2022/ParallelSample
example for parallel computation
pmu2022/acons
A modern C++ header-only library for constructing N-dimensional arrays
pmu2022/aiida-adamant
AiiDA plugin for performing alloy modelling with Green's function based DFT methods
pmu2022/atomicdftpp
Solving atomic DFT
pmu2022/AuAgTutorials
pmu2022/BayesianOptimization
A Python implementation of global optimization with gaussian processes.
pmu2022/BayesInterference
pmu2022/commit-message-emoji
Every commit is important. So let's celebrate each and every commit with a corresponding emoji! :smile:
pmu2022/dftatom
Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
pmu2022/ecalj
The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
pmu2022/EntropyCalculator
Program that calculate a entropy-like fingerprint for order
pmu2022/Example
pmu2022/GUIMachineLearning
GUI Project
pmu2022/hpc-workshop
Code samples used for HPC optimization training
pmu2022/Hybrid-Cuckoo-Search
Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-Solution Alloy Structure Design Tool
pmu2022/ising
Simple ising calculator
pmu2022/KKR
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
pmu2022/klustakwik2
Fast software for high-dimensional cluster analysis using the masked EM algorithm for Gaussians mixtures
pmu2022/likwid
Performance monitoring and benchmarking suite
pmu2022/MakeTestProject
test project to test the make file
pmu2022/markdown-it
Markdown parser, done right. 100% CommonMark support, extensions, syntax plugins & high speed
pmu2022/oneapi-containers
pmu2022/ProjectStructureExample
This project provides an example structure for future projects
pmu2022/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.
pmu2022/shortuuid
A generator library for concise, unambiguous and URL-safe UUIDs.
pmu2022/TestAutomationCreation
Test the automatic integration of a submodule
pmu2022/TradeOffRelations
Supplementary materials: Ab initio framework for deciphering trade-off relationships in multi-component alloys