MoseyQAQ / ferrodispcalcView external linksLinks
Python codes for calculation of polarization displacement vector in ferroelectric materials
☆12Feb 4, 2026Updated last week
Alternatives and similar repositories for ferrodispcalc
Users that are interested in ferrodispcalc are comparing it to the libraries listed below
Sorting:
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated last year
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 3 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆64Dec 8, 2025Updated 2 months ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆36Dec 17, 2025Updated last month
- A Toolkit for GPUMD&NEP☆106Feb 3, 2026Updated 2 weeks ago
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆18Jun 12, 2025Updated 8 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆112Updated this week
- Deep Potential Evolution Accelerator☆21Updated this week
- Phonons from ML force fields☆23Jul 7, 2025Updated 7 months ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Oct 27, 2019Updated 6 years ago
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 5 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- Calculates transport dynamics of a customizable channel and contact configuration in the Non-Equilibrium Green's Function Formalism☆23Apr 7, 2014Updated 11 years ago
- Some examples of GPUMD☆23May 15, 2024Updated last year
- Crystal Graph Convolutional Neural Networks tutorial☆31Mar 27, 2023Updated 2 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆66Dec 22, 2025Updated last month
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Dec 13, 2024Updated last year
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 7 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆33Jan 6, 2026Updated last month
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆31Dec 25, 2021Updated 4 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆32Sep 24, 2025Updated 4 months ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆24Feb 14, 2025Updated last year
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- Tools for Phono(3)py power users.☆35Oct 23, 2023Updated 2 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆41Dec 27, 2025Updated last month
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Visualize interactively phonon dispersions and their eigenvectors☆14Feb 7, 2025Updated last year
- 2nd generation of the Deep Potential GENerator☆40Feb 5, 2026Updated last week
- Python package to analyse the structural dynamics of perovskites☆48Jan 14, 2026Updated last month
- Tutorials related to GPUMD☆78Jan 1, 2026Updated last month
- ☆10Aug 30, 2023Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- ☆11Dec 19, 2016Updated 9 years ago
- A Python toolkit to perform common tensor operations in Continuum Mechanics☆18Feb 6, 2026Updated last week