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Hi šŸ‘‹, I'm Martin

A theoretical, computational chemistry student using Python, C++, Rust, (sometimes) MatLab and some C

martinrjdagleish

martinrjdagleish

  • šŸŒ± Iā€™m currently learning . . .
    • PHPC (Parallel and High Performance Computing) for scientific computation (utilizing C/C++ with OpenMP and MPI)
    • Rust:
      • to write my own quantum chemistry programme from scratch
      • for a safer and better development experience in comparison to C++
    • C++ as a 'low-level' high-performance computational language
    • TACO for general tensor contraction and computation
  • šŸ”­ Iā€™m currently working on ...
    • my progamming skills for various languages and applications

Connect with me:

https://www.linkedin.com/in/martin-dagleish-0b7229156/

Languages and Tools:

rust latex linux bash python sympy pandas git cplusplus

martinrjdagleish

Martin Dagleish's Projects

molelec-rs icon molelec-rs

Molecular electronic structure programme written in Rust (from scratch)

mrjd_cyscf icon mrjd_cyscf

Repository for my first SCF project; quantum chemisty in Cython.

mrjd_scf icon mrjd_scf

Following Crawford Group's tutorials for a SCF programme in C++

pyinstaller-action icon pyinstaller-action

Versatile (customisable) GitHub Action to package python scripts into executables, on different OS's.

scf_mrjd_rs icon scf_mrjd_rs

HF SCF programme written in Rust (for educational purpose)

scripts icon scripts

This repository is the collection of Python / Bash / ā€¦ scripts I wrote to make my life easier for analysis and automated calculations in ORCA / XTB / co.

zotero-dark-theme icon zotero-dark-theme

userChrome.css file for a Zotero dark theme. Suggestions for improvements are welcome.

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