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A collaborative effort to consolidate expert knowledge on code guidelines for the correctness, modernization, and optimization of code written in C, C++, and Fortran programming languages
Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)
A Python library for electronic structure pre/post-processing
To search and download arxiv papers. If published, then it downloads the published one (if accessible).
Jupyter notebook for an introduction to atomic-scale machine learning class
The Temperature Dependent Effective Potentials (TDEP) code
Static source code analysis for Fortran, tracks variables in a routine's callgraph
Parse Fortran source code and create a call tree graph with Python.
Material for Perturbo Workshop September 2023
Suite of Python scripts for Perturbo testing and postprocessing
A clean, elegant blog theme for hugo
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
An open-source Fortran library for mathematics, science and engineering (*in a way* just like scipy for python)
Alfred Youdao Translate Workflow
A python wrapper for doing ED calculations on many-body systems
NeXpy provides a high-level python interface to NeXus data contained within a simple GUI. It is designed to provide an intuitive interactive toolbox allowing users both to access existing NeXus fil…
This repository is intended to provide some basic CUDA programming practices in Fortran 90.
"CUDA FORTRAN for Material Scientists" workshop
IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.
GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
Quick code challenge to rig up a Gram-Schmidt process for orthonormalizing a set of vectors
Python-Fortran bindings examples
Gutzwiller solver for a doubly degenerate Anderson lattice model