Rewrote the existing C code for a simple molecular dynamics simulation in Rust.
What a brilliant language. So clean and clear.
Fun experience. Took me 3 days. (No LLM help haha).

https://codeberg.org/amartya/MolDyn_Rust

#rustlang #rust #c #moldyn #moleculardynamics #learning #programming #cpp #llm

Not C++, learning Rust.
Went through all the basic stuff in the rust book, and now rewriting an existing C serial molecular dynamics simulation code in Rust.

Fun experience. Learning so many things as I am implementing this.

#rustlang #rust #c #moldyn #learning #programming #cpp

🧪 Drowning in computational projects after the holidays? Same here! Juggling MD & electronic structure calculations across multiple systems

🔬 Pro-tip: Breaking massive computational workflows into smaller, focused pipelines helps tackle the chaos

💡 First in a series on managing parallel comp-chem projects efficiently! #CompChem #LabLife #MolDyn