Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
☆17Jun 27, 2017Updated 9 years ago
Alternatives and similar repositories for EwaldSummation
Users that are interested in EwaldSummation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Efficient and easy to use fortran implementation of the Ewald summation method☆19Jun 27, 2023Updated 3 years ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- ☆13May 28, 2026Updated 2 months ago
- ☆10Mar 31, 2023Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆23Nov 29, 2013Updated 12 years ago
- C++ Library for Electrostatics☆21Sep 19, 2025Updated 10 months ago
- Generate isosurface from density data☆14May 21, 2026Updated 2 months ago
- ☆15Feb 17, 2019Updated 7 years ago
- ☆13Dec 3, 2024Updated last year
- ☆15Nov 13, 2022Updated 3 years ago
- Introductory lectures in atomistic machine learning☆24May 27, 2026Updated 2 months ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- ☆32Feb 24, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python tools to handle CP2K output files☆53Aug 10, 2026Updated last week
- helPME: an efficient library for particle mesh Ewald☆32Feb 28, 2022Updated 4 years ago
- Boris Computational Spintronics☆34Aug 17, 2023Updated 3 years ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated 11 months ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆10Mar 22, 2024Updated 2 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50May 13, 2026Updated 3 months ago
- Soprano - a Python library to crack crystals!☆12Aug 11, 2026Updated last week
- Atomic Cluster Expansion for Modelling Invariant Atomic Properties☆24Apr 15, 2025Updated last year
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 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.
- A comprehensive tool for analyzing liquid solvation structure.☆55Nov 26, 2025Updated 8 months ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Implementation of the tetrahedron method for Brillouin zone summation☆12Jan 12, 2017Updated 9 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Jan 15, 2020Updated 6 years ago
- ☆48Jul 5, 2026Updated last month
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.☆17Aug 12, 2022Updated 4 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated last month
- ☆31Aug 14, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Reverse Monte Carlo refinement of diffuse scattering from single crystals☆11Sep 20, 2023Updated 2 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 6 years ago
- Detailed explanation and c++ implementation of DC3 algorithm.☆13Oct 22, 2022Updated 3 years ago
- Best Practices article intended for LiveCoMS☆43Mar 26, 2026Updated 4 months ago
- Najmanovich Research Group Toolkit for Elastic Networks☆13Apr 5, 2023Updated 3 years ago
- A Fortran implementation of K-Means algorithm.☆16Apr 17, 2021Updated 5 years ago
- Lennard Jones Molecular Dynamics in C++☆14Jun 17, 2016Updated 10 years ago