Atoma

Pure Safe Rust Architecture

Complete `#![deny(unsafe_code)]` compliance across all 4 core crates. Zero unsafe blocks, zero undefined behavior, memory safe down to the bare metal.

Unified CLI & Desktop CAD Binary

Single binary executable. Run 'atoma' for headless batch energy calculations, steepest-descent geometry optimizations, and Kohn-Sham DFT SCF solves, or 'atoma gui' to launch the GPU-accelerated 3D CAD studio.

Instant One-Command Distro Setup

Install with a single Debian package ('atoma_0.1.0_amd64.deb') or run the universal single-command installer across Ubuntu, Debian, Fedora, Arch, RHEL, openSUSE, Alpine, and NixOS.

Dual-Platform Studio Deployment

High-performance native desktop studio with custom borderless frame and real-time factor telemetry, paired with a static WebAssembly CAD studio hosted at /studio.

Complete Molecular Mechanics & Relaxation

Harmonic bond stretching, angle bending, Lennard-Jones 12-6 van der Waals, and Coulomb electrostatics with steepest-descent minimization and Velocity-Verlet molecular dynamics.

First-Principles Quantum Solvers

Kohn-Sham Density Functional Theory (DFT) with STO-3G basis sets, Slater X-alpha exchange, VWN correlation, analytical 4-center electron repulsion integrals, and non-Abelian Majorana braiding.

Quick Start in 60 Seconds

Linux Installation Options

bash

# Option A: Fast universal one-line installer (all popular distros)
curl -fsSL https://atoma.aerovex.net/install.sh | bash

# Option B: Single Debian/Ubuntu package (.deb)
wget https://github.com/aerovexhq/atoma/releases/download/v0.1.0/atoma_0.1.0_amd64.deb
sudo dpkg -i atoma_0.1.0_amd64.deb

# Option C: Standalone portable executable
wget https://github.com/aerovexhq/atoma/releases/download/v0.1.0/atoma-x86_64
chmod +x atoma-x86_64 && ./atoma-x86_64 gui

Headless CLI Usage

Atoma does not require a graphical desktop; full scientific calculations run headlessly via raw code and the command line:

bash

# Molecular structure inspection
atoma info water

# Force field energy evaluation (bond, angle, vdw, coulomb)
atoma energy water

# Geometry optimization (steepest descent)
atoma relax water --max-steps 500 --tolerance 1e-4 -o relaxed_water.xyz

# Kohn-Sham DFT electronic structure calculation
atoma dft --preset dihydrogen

# Comprehensive 30-point physics audit suite
atoma audit

Open Static Web Studio in Browser

Access the complete browser-based CAD environment with zero local installation: Launch Atoma Web Studio

AtomaInteractive Quantum, Atomistic & Molecular CAD Studio