A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.
☆11May 28, 2022Updated 3 years ago
Alternatives and similar repositories for DP-PIMD
Users that are interested in DP-PIMD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- JAX-based framework for Lattice Hamiltonian simulation☆21Sep 17, 2025Updated 6 months ago
- ☆10Mar 31, 2023Updated 2 years ago
- Multi-dimensional (generalized) Langevin equation☆11Sep 14, 2024Updated last year
- ☆15Nov 13, 2022Updated 3 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆23Nov 29, 2013Updated 12 years ago
- Tool for finding atomic environments in crystal structures☆23Mar 6, 2026Updated 2 weeks ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆23Oct 9, 2019Updated 6 years ago
- Efficient and easy to use fortran implementation of the Ewald summation method☆19Jun 27, 2023Updated 2 years ago
- A 22.9 million carbon atom dataset☆15Mar 7, 2023Updated 3 years ago
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated 11 months ago
- Package for reading, analysis and visualization of metadynamics HILLS☆39Nov 28, 2023Updated 2 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated 8 months ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆47Feb 4, 2022Updated 4 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- PaiNN in jax☆11Jan 14, 2025Updated last year
- CmuMD implementation for PLUMED2☆22Aug 4, 2023Updated 2 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 6 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- ☆12Dec 13, 2023Updated 2 years ago
- This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate…☆20Feb 24, 2026Updated last month
- ☆11Aug 29, 2022Updated 3 years ago
- ☆65Jul 25, 2025Updated 8 months ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆19Feb 19, 2016Updated 10 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆22Mar 18, 2024Updated 2 years ago
- Training Neural Network potentials through customizable routines in JAX.☆64Feb 10, 2026Updated last month
- Development version of i-PI☆21Nov 1, 2018Updated 7 years ago
- Slides for my presentations at the OpenFOAM Workshop 2020☆10Mar 26, 2022Updated 3 years ago
- ☆13Feb 11, 2025Updated last year
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.☆35Mar 8, 2026Updated 2 weeks ago
- 从英文文献中提取单词 学习专业单词☆19Oct 24, 2018Updated 7 years ago
- Continual Resilient (CoRe) Optimizer for PyTorch☆12Jun 10, 2024Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- 湖南大学硕士学位论文模板（latex）☆17Mar 28, 2023Updated 2 years ago
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆14Mar 13, 2026Updated last week
- Tool to build force field input files for molecular simulation☆191Mar 9, 2026Updated 2 weeks ago
- Electronegativity equilibration model for atomic partial charges☆22Mar 9, 2026Updated 2 weeks ago
- libFastMesh - Optimized Finite Volume Computational Aeroacoustics (CAA) Code☆13Mar 28, 2024Updated last year
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Reproduce partial features of DeePMD-kit using PyTorch.☆19Dec 14, 2021Updated 4 years ago