A toolkit for automatic calculation and analysis of elastic constants
☆14Jun 11, 2025Updated 8 months ago
Alternatives and similar repositories for elastool
Users that are interested in elastool are comparing it to the libraries listed below
Sorting:
- ☆11Jan 24, 2022Updated 4 years ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆54Mar 20, 2024Updated last year
- MoS2 FET Simulation using COMSOL Multiphysics☆32Jul 23, 2020Updated 5 years ago
- Various .m files of code in MATLAB® for automating COMSOL Multiphysics®☆26Oct 2, 2019Updated 6 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 6 years ago
- Statistical mechanics models such as random cluster models, random growth models and related processes.☆12Jan 24, 2025Updated last year
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Jul 18, 2020Updated 5 years ago
- UMAT4COMSOL: An Abaqus user material (UMAT) subroutine wrapper for COMSOL☆42Jan 8, 2025Updated last year
- A simple python/numpy script for calculating successive Brillouin zones of lattices.☆10Nov 20, 2016Updated 9 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- How-to for working with COMSOL for Crystal Plasticity☆10Aug 10, 2020Updated 5 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- An open-source Matlab application to assist with generation, analysis and visualisation of TPMS-like structures and other 3D objects.☆39Mar 14, 2024Updated last year
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆10Sep 23, 2024Updated last year
- pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an…☆13Nov 10, 2025Updated 3 months ago
- This repository contains the codes used for simulating the cases discussed in the manuscript: Impact forces of water drops on superhydrop…☆11Sep 19, 2023Updated 2 years ago
- A C++ implementation of the percolation problem☆11Apr 13, 2020Updated 5 years ago
- Pychastic is a stochastic differential equations integrator written entirely in python.☆12Feb 12, 2025Updated last year
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆15Aug 15, 2025Updated 6 months ago
- Python library for simple point-kernel photon shielding analyses☆15Jan 22, 2026Updated last month
- Estimating high-order interactions in time series data of any dimension☆17Sep 5, 2025Updated 5 months ago
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- Analyze correlations in lithium-ion diffusion trajectories☆11Apr 24, 2024Updated last year
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- Simulations of BKS silica in LAMMPS☆13Nov 21, 2018Updated 7 years ago
- ☆13Feb 27, 2023Updated 3 years ago
- ☆10Nov 19, 2025Updated 3 months ago
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆18Nov 2, 2025Updated 4 months ago
- Utility scripts and programs for VASP calculations☆20Feb 16, 2026Updated 2 weeks ago
- Additive Manufacturing - Common Data Model☆16Feb 18, 2026Updated last week
- A library for converting molecular topologies☆13May 20, 2015Updated 10 years ago
- MetamatBench: Integrating Heterogeneous Data, Computational Tools, and Visual Interface for Metamaterial Discovery☆16Jun 14, 2025Updated 8 months ago
- A conda-smithy repository for lammps.☆10Sep 12, 2025Updated 5 months ago
- A Finite Element Approximation of a Cahn--Hilliard Tumour Model with FEniCS, by Dennis Trautwein (2020).☆10Oct 11, 2020Updated 5 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆44Feb 24, 2025Updated last year
- Tutorials related to GPUMD☆79Jan 1, 2026Updated 2 months ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆46Feb 23, 2026Updated last week