https://github.com/maniac-mc/isotherm-benchmark
Isotherms for benchmarking for MANIAC-MC
https://github.com/maniac-mc/isotherm-benchmark
benchmark calibration gcmc molecule monte-carlo porous-media simulation test
Last synced: 28 days ago
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Isotherms for benchmarking for MANIAC-MC
- Host: GitHub
- URL: https://github.com/maniac-mc/isotherm-benchmark
- Owner: maniac-mc
- License: mit
- Created: 2025-11-17T18:34:42.000Z (7 months ago)
- Default Branch: main
- Last Pushed: 2025-12-18T16:57:57.000Z (6 months ago)
- Last Synced: 2025-12-21T19:59:06.476Z (6 months ago)
- Topics: benchmark, calibration, gcmc, molecule, monte-carlo, porous-media, simulation, test
- Language: Jupyter Notebook
- Homepage: https://maniac-mc.github.io./
- Size: 4.08 MB
- Stars: 0
- Watchers: 0
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# Isotherms for benchmarking MANIAC-MC
## What is MANIAC-MC ?
MANIAC-MC is a lightweight Monte Carlo simulation code written in Fortran,
designed for GCMC and adsorption studies. It reads basic LAMMPS-style topology
files and supports several Monte Carlo moves, including translation,
rotation, insertion, deletion, and swap. It also allows for the calculation
of excess chemical potential using the Widom insertion move.
For complete documentation, visit [maniac-mc.github.io](https://maniac-mc.github.io).
## Why the name MANIAC?
The original MANIAC computer (for Mathematical Analyzer, Numerical Integrator, and
Computer) was built in the early 1950s at Los Alamos National Laboratory. It
was one of the first machines used to perform Monte Carlo simulations in
statistical physics and nuclear research.
## Author
Original code written by [Simon Gravelle, LIPhy, CNRS](https://simongravelle.github.io/).