NaveenKaliannan / StructureFactorLinks
A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
☆22Updated 4 years ago
Alternatives and similar repositories for StructureFactor
Users that are interested in StructureFactor are comparing it to the libraries listed below
Sorting:
- ☆14Updated 6 years ago
- ☆44Updated last week
- ☆45Updated 5 years ago
- Convert files from the ATB repository to LAMMPS format☆22Updated 2 weeks ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Files used in tutorials☆46Updated 5 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated last month
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆17Updated 5 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆46Updated last year
- A Python package to compute bond orientational order parameters as defined by Steinhardt, Physical Review B (1983)☆31Updated 7 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- A Python/Fortran order parameter analysis library☆12Updated 4 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆21Updated 3 months ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆36Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 3 months ago
- LAMMPS tutorials for both beginners and advanced users: the article☆27Updated last month
- Deep learning for crystal-structure recognition and analysis of atomic structures☆43Updated last year
- Tutorials on CP2K calculations☆55Updated 3 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last week
- ☆39Updated 7 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- LAMMPS input from lammpstutorials.github.io☆52Updated last month
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆62Updated this week