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soft_eng_tutorals Public
Software engineering tutorials, focussing on abstraction of algorithms
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crawfield_hf_cpp Public
Implementing Hartree Fock following the [Crawfield](https://github.com/CrawfordGroup/ProgrammingProjects/tree/master/Project%2303) tutorial, in C++
C++ UpdatedJan 16, 2025 -
periodicXTBworkflows Public
Workflows and data analysis accompanying the paper "Periodic GFN1-xTB Tight-Binding: A Generalised Ewald Partitioning Scheme for the Klopman-Ohno Function"
Jupyter Notebook UpdatedDec 12, 2024 -
isdf_prototypes Public
Prototype code for Interoperable Separable Density Fitting (ISDF) of 2-e Integrals
Jupyter Notebook UpdatedNov 24, 2024 -
mpi_snippets Public
Fortran MPI snippets for prototyping and personal reference
Fortran GNU General Public License v3.0 UpdatedNov 12, 2024 -
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isdf_fortran Public
Interpolative Separable Density Fitting Prototyping in Fortran
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isdf_prototyping Public
Prototyping ISDF Implementations for 2-electron Integrals
Python UpdatedMar 25, 2024 -
blas_wrapping Public
Test interface wrapping of BLAS using assumed-rank.
Fortran UpdatedMar 19, 2024 -
python_cookie_cutter Public template
Python Project Template (based on personal taste)
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custom_gpt2 Public
Implementation of GPT2, as described by [Andrej Karpathy](https://www.youtube.com/watch?v=kCc8FmEb1nY&t=638s)
Python UpdatedJan 25, 2024 -
kerker_testing Public
Simple application of preconditioning in real and reciprocal space
Python UpdatedJan 11, 2024 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedApr 6, 2023 -
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An example of CMake's ExternalProject
CMake UpdatedFeb 10, 2023 -
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ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
1 UpdatedDec 30, 2022 -
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