This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program can applied to planar, cylindrical and spherical interfaces
☆13Jul 24, 2023Updated 3 years ago
Alternatives and similar repositories for SFG-spectra-tool
Users that are interested in SFG-spectra-tool are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆22Updated this week
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆24Updated this week
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 7 years ago
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆24Nov 29, 2013Updated 12 years ago
- Tools, tutorials, and wiki for GROMACS☆21Jul 21, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Jun 27, 2017Updated 9 years ago
- Statistical mechanics models such as random cluster models, random growth models and related processes.☆12Jan 24, 2025Updated last year
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 7 months ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 4 years ago
- ☆11Oct 16, 2026Updated 3 weeks ago
- atomes: codeblocks dev files☆16Updated this week
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated 9 months ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆14Jul 14, 2021Updated 5 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Links to books, webpages, essays, apps, and other stuff from the internet.☆27Oct 24, 2025Updated last year
- Best Practices article (intended for LiveCoMS) treating simulation software validation and physical validation☆10Dec 11, 2017Updated 8 years ago
- A software package to identify and locate knots in polymers☆14Nov 20, 2022Updated 3 years ago
- A Python (version 2.7) script for calculating the IR spectrum based on the Fast Fourier Transform (FFT) of the Auto-Correlation Function …☆21Jun 19, 2023Updated 3 years ago
- Tutorials for the PIQM-2023 Advanced School☆11Sep 29, 2026Updated last month
- Computational singular perturbation analysis library☆13Sep 11, 2025Updated last year
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Apr 1, 2024Updated 2 years ago
- A python library for extracting memory kernels and adding colored noise to MD simulations☆11Sep 11, 2026Updated last month
- Parameter estimation for complex physical problems often suffers from finding ‘solutions’ that are not physically realistic. The PEUQSE s…☆14May 28, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆10Feb 26, 2025Updated last year
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated 2 years ago
- Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis☆20Jan 2, 2024Updated 2 years ago
- ☆14May 10, 2024Updated 2 years ago
- A framework for the analysis of the dynamics of particle trajectories☆11Sep 3, 2026Updated 2 months ago
- Depiction of Potential Energy Surfaces☆18Aug 23, 2026Updated 2 months ago
- Python package for automated transition metal complex conformer generation☆26Dec 4, 2025Updated 11 months ago
- Evolvable geometric landscape model☆13Oct 26, 2026Updated last week
- Tutorial and examples for various types of simulations with i-PI and MLIPs☆15Jul 24, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Introduction to awk. The tutorial below is designed to be completed in ~40-45 minutes by anyone with basic understanding of UNIX.☆12Mar 31, 2016Updated 10 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- Tool for finding atomic environments in crystal structures☆24Mar 6, 2026Updated 8 months ago
- This repository contains some LLM deployment examples☆12Updated this week
- 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
- ☆33May 27, 2020Updated 6 years ago
- Python wrapper for packmol molecule packing program☆12Jan 4, 2016Updated 10 years ago