Course repository for 06-640 - Molecular simulation
☆26Dec 5, 2012Updated 13 years ago
Alternatives and similar repositories for dft-course
Users that are interested in dft-course are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- A molecular dynamics simulation of liquid argon using a Lennard-Jones potential.☆14Aug 29, 2023Updated 3 years ago
- New ASE compliant Python interface to VASP☆157Jan 31, 2026Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- IYPT Projects for Capa Science High School Students☆34Oct 30, 2017Updated 8 years ago
- ☆25Nov 10, 2020Updated 5 years ago
- ☆12Apr 16, 2022Updated 4 years ago
- Command-line and Python API to download PDFs directly from Sci-Hub☆13Feb 3, 2024Updated 2 years ago
- A C project template with support for CMake and Unity test framework☆11Jun 12, 2018Updated 8 years ago
- 写的一些小程序会放在这里面☆24Mar 26, 2019Updated 7 years ago
- ☆13Sep 24, 2025Updated last year
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 4 years ago
- generator of simple atomistic models☆28Sep 13, 2018Updated 8 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A tool for performing post-processing of lammps log files☆12Jul 28, 2021Updated 5 years ago
- The solutions to exercises in Donald Knuth's "The Art of Computer Programming".☆11Feb 27, 2017Updated 9 years ago
- ☆14Jul 7, 2016Updated 10 years ago
- Multiplex Computational Model of Neural Dynamics☆16Aug 11, 2026Updated last month
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Sep 15, 2026Updated last week
- Course repository for 06-623☆13Mar 31, 2020Updated 6 years ago
- Multiphase SPH simulation with evaporation☆19Mar 24, 2015Updated 11 years ago
- ☆15Aug 7, 2020Updated 6 years ago
- Python Distributed Non Negative Tensor Networks☆14Oct 20, 2021Updated 4 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.
- Metropolis Monte Carlo particle simulations for statistical mechanics in Python and Cython. Simulates Lennard-Jones particles using a Mar…☆12Jun 2, 2015Updated 11 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆16Nov 21, 2023Updated 2 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- The Expanded Package for IET Solvation☆14Feb 6, 2025Updated last year
- A book on modeling materials using VASP, ase and vasp☆461Updated this week
- python wrappers for generating training files for the ReaxFF code☆24Apr 10, 2014Updated 12 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated 3 months ago
- Course materials for NANO 106 - Crystallography of Materials☆36Feb 19, 2026Updated 7 months ago
- Particle tracking instrumentation and analysis in Python☆14Feb 22, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A curated list of Quantum Computing resources, articles, programming languages and projects. The main idea is that everyone can contribut…☆20Oct 11, 2022Updated 3 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆20Feb 19, 2016Updated 10 years ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆69Aug 27, 2021Updated 5 years ago
- custom LAMMPS fix used for Brownian Dynamics Simulation (Overdamped Langevin)☆18Sep 11, 2021Updated 5 years ago
- Introduction to classical Monte Carlo methods☆26Dec 3, 2021Updated 4 years ago
- eOn v2 and beyond☆19Updated this week
- Open Source Precollege Algebra Textbook☆23Aug 27, 2026Updated 3 weeks ago