Search Results for "quantum espresso command"

PHASH is a self-contained, dependency-free, post-quantum XOF hashing algorithm implemented in modern C++20. This release delivers the first fully stable production implementation of the PetoronHash-System — a 1600-bit sponge-based hash function with domain separation, extendable output, and deterministic behavior. Key Features No external dependencies — pure C++20 implementation. Extendable Output (XOF) — supports arbitrary output length (256–8192+ bits). Post-quantum oriented design...

Sentinel is a filesystem-backed document DBMS built in Rust that prioritizes compliance, transparency, and auditability over raw performance. Unlike traditional databases, every document is a plain JSON file, making your data immediately forensic-friendly and Git-versionable. Perfect for regulated industries requiring GDPR, SOC 2, HIPAA, or PCI-DSS compliance. Sentinel provides async operations with automatic BLAKE3 hashing and optional Ed25519 signatures for cryptographic integrity. Data...

PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,...

A programmable signal generator and RF synthesizer for scientific experiments, especially quantum computing and quantum information processing. It includes hardware, firmware, software, and documentation, all under an open source license.

OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation

QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.