Implementation of BFGS within Python
☆24Apr 2, 2020Updated 6 years ago
Alternatives and similar repositories for bfgs
Users that are interested in bfgs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK☆25Dec 31, 2025Updated 9 months ago
- A semi-agnostic ansatz with variable structure for variational quantum algorithms. Published in Quantum Machine Intelligence (2023). Opti…☆12Jan 4, 2026Updated 9 months ago
- ☆11Jun 30, 2022Updated 4 years ago
- A library to align rigid molecules and clusters☆13Oct 8, 2026Updated last week
- Numerical experiments on Jacobi SVD algorithm☆10Jun 3, 2018Updated 8 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ThereminQ CLassiQ - QuantOPS : Orchestrate Qrack, Bonsai, Qimcifa and Tipsy in OpenCL, VCL and CUDA with an X WebUI☆14Jan 10, 2026Updated 9 months ago
- Sky-MoCa Skyrmion - Monte Carlo: Simulated annealing for a 3D spin lattice in Julia☆14Jul 4, 2019Updated 7 years ago
- Discovering Differential Equations with Physics-Informed Neural Networks and Symbolic Regression☆11Jul 28, 2023Updated 3 years ago
- A design optimization study of underwater vehicle using Bayesian optimization and deep learning based surrogate model☆13Mar 13, 2023Updated 3 years ago
- Interface between Openfermion and Dirac to perform relativistic quantum chemistry calculations simulated on a quantum computer☆14Aug 12, 2022Updated 4 years ago
- Codata constants for Fortran, C and Python.☆10Updated this week
- This is a tutorial prepared for a summer school in Changsha in 2021☆11Jul 15, 2021Updated 5 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Fortran pre-processor☆19Jan 27, 2026Updated 8 months ago
- AeroFlex is a MATLAB toolbox for studying the flight dynamics of highly flexible airplanes.☆18Jul 5, 2026Updated 3 months ago
- Blade Element Momentum Theory Function for MATLAB☆12Aug 2, 2018Updated 8 years ago
- An implementation of SGEMV with performance comparable to cuBLAS.☆12May 21, 2021Updated 5 years ago
- Markov State Models on the Muller potential: a MSMBuilder Tutorial☆12Mar 18, 2013Updated 13 years ago
- Export stiffness and mass matrices from NASTRAN☆10Mar 25, 2025Updated last year
- do some exercise☆15Dec 2, 2025Updated 10 months ago
- A poor man's density functional theory program☆14May 18, 2026Updated 5 months ago
- The repository targets the OpenCL gemm function performance optimization. It compares several libraries clBLAS, clBLAST, MIOpenGemm, Inte…☆18Mar 28, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Fortran bindings to the FLANN library for performing fast approximate nearest neighbor searches in high dimensional spaces.☆15Jun 29, 2025Updated last year
- ☆20Feb 20, 2022Updated 4 years ago
- OpenCossan represents the core of COSSAN software. All the algorithms and methods have been coded in a matlab toolbox allowing numerical …☆12Apr 17, 2018Updated 8 years ago
- mirrored from https://gitlab.com/ccp5/dl-poly/☆13Aug 21, 2026Updated last month
- Genetic Algorithm for Neural Network Architecture and Hyperparameter Optimization and Neural Network Weight Optimization with Genetic Alg…☆14Mar 28, 2019Updated 7 years ago
- Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles☆12Oct 23, 2021Updated 4 years ago
- ☆15Dec 15, 2020Updated 5 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- Implementation of the tetrahedron method for Brillouin zone summation☆12Jan 12, 2017Updated 9 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 4 years ago
- ☆11Jul 25, 2024Updated 2 years ago
- Dark Gruvbox style for Matplotlib☆26Sep 30, 2020Updated 6 years ago
- Generate make dependencies for Fortran code☆20May 19, 2026Updated 4 months ago
- A LinearOperator implementation for PyTorch☆18Jan 15, 2021Updated 5 years ago
- Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and cryst…☆12Aug 4, 2026Updated 2 months ago
- man-page style descriptions of Fortran intrinsics for use as a reference for developers and tutorials☆24Aug 20, 2026Updated last month