Simulation Package for Ab-initio Real-space Calculations
☆98Sep 18, 2026Updated this week
Alternatives and similar repositories for SPARC
Users that are interested in SPARC are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Matlab Simulation Package for Ab-initio Real-space Calculations☆32Jul 23, 2026Updated last month
- ☆13Jun 17, 2026Updated 3 months ago
- SPMS table of pseudopotentials☆23Jan 22, 2023Updated 3 years ago
- Pseudopotential converter from upf to psp8☆11Jan 25, 2023Updated 3 years ago
- Generate isosurface from density data☆15Sep 7, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python module for drawing and rendering beautiful atoms and molecules using Blender.☆198Dec 9, 2025Updated 9 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 5 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.☆23May 29, 2025Updated last year
- ☆78Jun 17, 2026Updated 3 months ago
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated 2 months ago
- Pythonic electronic structure theory.☆23Aug 25, 2026Updated 3 weeks ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 10 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A poor man's density functional theory program☆14May 18, 2026Updated 4 months ago
- Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.☆22Nov 9, 2023Updated 2 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆54Aug 10, 2026Updated last month
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆43Aug 5, 2026Updated last month
- PLATO: Phonon LAttice TOols a place for all lattice dynamics and thermal transport related tools.☆16Oct 4, 2023Updated 2 years ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆292Updated this week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Aug 14, 2026Updated last month
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated last year
- 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.
- Crawford's Quantum Chemistry Exercises by Python approach☆33Jul 10, 2022Updated 4 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated this week
- ☆17Dec 13, 2022Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- Quantum Package : a programming environment for wave function methods☆80Aug 27, 2026Updated 3 weeks ago
- Pseudopotential Studio☆22May 6, 2021Updated 5 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A fortran package and library for continuum embedding calculations in materials and molecules☆22Jul 6, 2026Updated 2 months ago
- A tiny package to compute the dynamics of stochastic and molecular simulations☆33Jul 11, 2023Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- Many-body dispersion library☆66Updated this week
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 6 years ago
- This is a mirror. Please check our main website on gitlab.☆36Jan 14, 2026Updated 8 months ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆220Aug 31, 2026Updated 2 weeks ago