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…
  ☆48Updated this week
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆41Updated 2 months ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆33Updated 3 months ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆59Updated last month
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆71Updated 2 weeks ago
• NaveenKaliannan / EwaldSummation
  Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
  ☆17Updated 7 years ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆31Updated this week
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆35Updated last week
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 4 months ago
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆36Updated 5 years ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆49Updated 4 months ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated this week
• mir-group / flare_pp
  A many-body extension of the FLARE code.
  ☆36Updated 2 years ago
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆105Updated this week
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆46Updated 7 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆15Updated last year
• lanl / hippynn
  python library for atomistic machine learning
  ☆73Updated 2 weeks ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated last year
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated 3 weeks ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆63Updated 3 weeks ago
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆30Updated 4 months ago
• hema-ted / pycdft
  ☆31Updated 4 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated last year
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆81Updated 8 months ago
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated 2 weeks ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆43Updated 4 months ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated this week
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆28Updated 2 years ago
• brucefan1983 / gpuqt
  A CUDA-implementation of linear-scaling quantum transport methods
  ☆26Updated last year