Alternatives and similar repositories for ewald-summation

Users that are interested in ewald-summation are comparing it to the libraries listed below

• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆50Updated this week
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆69Updated last week
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆44Updated 2 years ago
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆113Updated 2 weeks ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated this week
• lanl / hippynn
  python library for atomistic machine learning
  ☆85Updated last month
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated 10 months ago
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆36Updated 3 years ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated 4 months ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆30Updated 5 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆35Updated 2 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated last month
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 7 months ago
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆38Updated 6 years ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆27Updated 2 weeks ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated last week
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 11 months ago
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆43Updated last week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• skmin-lab / unixmd
  ☆23Updated last month
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆82Updated last year
• Madsen-s-research-group / neuralil-public-releases
  Public releases of the NeuralIL differentiable neural-network force field
  ☆13Updated 11 months ago
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated 2 weeks ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆34Updated 2 years ago
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆22Updated this week
• ifilot / hfcxx
  Hartree-Fock C++ code
  ☆32Updated last year
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆83Updated this week
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆20Updated 4 years ago
• aromanro / DFTAtom
  Density Functional Theory in real space, for atoms, LDA and LSDA
  ☆29Updated last year
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated last week