west-code-development / WestLinks
WEST code
☆30Updated 4 months ago
Alternatives and similar repositories for West
Users that are interested in West are comparing it to the libraries listed below
Sorting:
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Pythonic electronic structure theory.☆21Updated 2 weeks ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated 3 weeks ago
- ☆12Updated 10 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- Hartree-Fock Python☆20Updated 2 years ago
- A Wannier90 python interface for VASP and PySCF☆41Updated 2 months ago
- Python tools for Quantum ESPRESSO☆36Updated 2 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- An example to implement PBC SCF☆14Updated 7 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated last month
- An open source program for the description of metastable electronic states in molecules.☆23Updated 8 months ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- Python modules for electron–phonon models☆37Updated last month
- SPMS table of pseudopotentials☆21Updated 2 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆61Updated 3 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆47Updated 2 weeks ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆23Updated last month
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 4 years ago
- MRH's research code☆25Updated this week
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆33Updated last year
- Compressive sensing lattice dynamics☆32Updated 10 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- SOC integrals generator with atomic mean field approximation☆10Updated 5 months ago
- systematic molecular fragmentation by annihilation☆11Updated 6 years ago