Matlab codes to calculate solid-liquid contact angle from Molecular Dynamics simulations
☆15Mar 16, 2020Updated 6 years ago
Alternatives and similar repositories for contact-angle
Users that are interested in contact-angle are comparing it to the libraries listed below
Sorting:
- Contact angle image processing analysis☆28Jun 6, 2021Updated 4 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- gammcor code☆11Mar 10, 2026Updated last week
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Updated this week
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years ago
- GRADE: A code to determine clathrate hydrate structures. GRADE analyzes atomic positions of water molecules to compute the number of 5(12…☆23Jun 19, 2023Updated 2 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆23Feb 25, 2019Updated 7 years ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Tool to calculate the root mean square deviation between molecular structures☆11Jul 25, 2022Updated 3 years ago
- Computes effective mode in a 1D wave guide☆10Aug 9, 2021Updated 4 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Dec 13, 2024Updated last year
- All my code for various classes during my physics undergrad degree☆14Jun 16, 2022Updated 3 years ago
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆14Nov 14, 2025Updated 4 months ago
- Spectral solution for 2D Navier-Stokes equations☆14Nov 8, 2016Updated 9 years ago
- Gromacs Topology Files for common Ionic Liquids☆24Jan 24, 2026Updated last month
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- A numerical simulation of the (2+1)D Dirac equation on a in space and time staggered grid with periodic or absorbent boundary conditions …☆11Mar 2, 2021Updated 5 years ago
- Using machine learning to predict the performance of supercapacitors.☆11Jun 23, 2020Updated 5 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Thermodynamic stability calculation for mixed clathrate hydrates☆20Apr 9, 2018Updated 7 years ago
- Files used in tutorials☆46Apr 26, 2020Updated 5 years ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆51Mar 9, 2019Updated 7 years ago
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 7 years ago
- 针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。☆50Jun 9, 2021Updated 4 years ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated last month
- ☆11Aug 30, 2020Updated 5 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
- An Introduction to Computer Simulation Methods☆10Apr 11, 2015Updated 10 years ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Convenience functions for VMD-TCL scripting☆14Jul 16, 2025Updated 8 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Jun 28, 2018Updated 7 years ago
- Documentation for napari (other than API docs)☆12Mar 11, 2026Updated last week
- atomes: codeblocks dev files☆15Mar 14, 2026Updated last week