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A collection of some useful Fortran modules on general purposes. Implementation of some common datastructures and algorithms, tools for common tasks, that kind of stuff.

Convert Fortran modules to C-headers. Taken over from https://github.com/sharifmarat/fortran_to_c_headers

Master thesis "Development of a surrogate machine learning model for the acceleration of density functional calculations with the Korringa-Kohn-Rostoker method". 2021.

Reproduction of results from https://doi.org/10.1002/qua.24954

Project outline for HDS-LEE monitoring process, October 2022.

Counting statistics and fractionalization

Poster for Psi-k 2022 conference

JSC Course "Getting started with AI on supercomputers", synonyms "Bringing Deep Learning Workloads to JSC supercomputers", "Introduction to AI on supercomputers", "Getting started with deep learning on supercomputers", student wasmer, participation notes.

Doctoral thesis (dissertation) of J. Wasmer's PhD project "Development of a surrogate machine learning model for the acceleration of first-principles calculations". Monograph.

Repository containing utilities for creating documentations.