Pseudopotential Studio
☆21May 6, 2021Updated 4 years ago
Alternatives and similar repositories for PStudio
Users that are interested in PStudio are comparing it to the libraries listed below
Sorting:
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 3 months ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- ☆13Updated this week
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 5 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- A JupyterLab launcher extension to view the molecular orbitals.☆19Sep 12, 2024Updated last year
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Gauge-including magnetically induced currents.☆32Dec 7, 2023Updated 2 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆39Updated this week
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Donostia Natural Orbital Functional Software☆24Feb 9, 2026Updated 2 weeks ago
- Pseudopotential converter from upf to psp8☆11Jan 25, 2023Updated 3 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Jun 13, 2023Updated 2 years ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆22Feb 5, 2026Updated 3 weeks ago
- plane wave basis set density functional thoery code☆19May 26, 2025Updated 9 months ago
- Adaptive Pole Fitting for Quantum Many-Body Physics☆12Feb 20, 2026Updated last week
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated last year
- Ab Initio Energies☆10Nov 22, 2025Updated 3 months ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 3 months ago
- ☆11Mar 13, 2021Updated 4 years ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 5 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- Implementation of the cluster dynamical mean-field theory☆10May 29, 2021Updated 4 years ago
- TD-DMRG and VHCI package☆11Jul 24, 2025Updated 7 months ago
- ☆12Feb 15, 2026Updated 2 weeks ago
- torchami: Library for Algorithmic Matsubara Integration built using libtorch☆10Aug 20, 2025Updated 6 months ago
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Python framework for generating and validating pseudo potentials☆51Nov 8, 2023Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Feb 19, 2026Updated last week
- QM/MM interfacing in Python☆10Feb 12, 2019Updated 7 years ago
- ☆13Feb 14, 2025Updated last year
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Abinitio Dynamical Vertex Approximation☆15Dec 17, 2019Updated 6 years ago