Matlab Simulation Package for Ab-initio Real-space Calculations
☆32Jul 23, 2026Updated last month
Alternatives and similar repositories for M-SPARC
Users that are interested in M-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:
- SPMS table of pseudopotentials☆23Jan 22, 2023Updated 3 years ago
- Simulation Package for Ab-initio Real-space Calculations☆97Updated this week
- ☆13Jun 17, 2026Updated 2 months ago
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated 2 months ago
- Pseudopotential converter from upf to psp8☆11Jan 25, 2023Updated 3 years 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.
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆22Jul 25, 2026Updated last month
- PyNucleus is a finite element code that specifically targets nonlocal operators.☆13Feb 11, 2026Updated 6 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆50May 31, 2024Updated 2 years ago
- ☆26Jul 16, 2026Updated last month
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 2 months ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆12Apr 11, 2021Updated 5 years ago
- mechanoChemML library☆17Jan 16, 2026Updated 7 months ago
- A single-page full-stack clone of Genius.com, featuring code-related songs and annotated lyrics.☆12Jun 4, 2026Updated 2 months ago
- A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to…☆16Mar 4, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 6 years ago
- Source code and examples for searching structures using RANGE☆15Aug 26, 2026Updated last week
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 6 months ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Aug 14, 2019Updated 7 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆16May 18, 2026Updated 3 months ago
- Benchmark calculations with Quantum Espresso☆18Sep 25, 2024Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Aug 25, 2026Updated last week
- ☆29Nov 5, 2025Updated 9 months ago
- Free surface integral equation (SIE) method software for modeling light scattering in homogeneous, periodic, and layered environments.☆20May 4, 2026Updated 3 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- QMC and QMCPACK Summer School 2025☆22Jul 22, 2025Updated last year
- This is a mirror. Please check our main website on gitlab.☆36Jan 14, 2026Updated 7 months ago
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Mar 21, 2023Updated 3 years ago
- Sampling: Random, LHS, Sobol, Halton☆14Jun 29, 2026Updated 2 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆33May 5, 2022Updated 4 years ago
- ☆14Jul 7, 2025Updated last year
- Workshop of Packaging and Publishing Local Python Codes☆10Jan 15, 2025Updated last year
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- 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.
- Utilities for molecular volume calculation☆11Jun 4, 2018Updated 8 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- Symmetry prediction and knowledge discovery fromX-ray diffraction patterns using an interpretable machine learning approach☆22Dec 11, 2020Updated 5 years ago
- mechanoChemFEM is a libarary for modeling of mechano-chemical problems using the finite element method. It is built upon Deal.ii, PetSc,…☆13Oct 5, 2022Updated 3 years ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Oct 7, 2022Updated 3 years ago
- This repository includes main notebook of the code for our proposed RCGAN☆12Apr 10, 2020Updated 6 years ago
- Yet Another extended Hueckel Molecular Orbital Package☆28Mar 6, 2026Updated 5 months ago