odf / gavrog
Generation, analysis and visualization of reticular ornaments using Gavrog.
☆35Updated last year
Alternatives and similar repositories for gavrog
Users that are interested in gavrog are comparing it to the libraries listed below
Sorting:
- QMCPACK Users Workshop 2019☆13Updated 5 years ago
- a python package for reduced density matrix techniques☆16Updated 4 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Updated last year
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆15Updated 2 years ago
- ☆21Updated 5 years ago
- BoFiN HEOM Python version.☆16Updated last year
- DMFT with CTQMC. The Dynamical Mean Field Theory (DMFT) with the continuous-time auxiliary-field Quantum Monte Carlo method with Julia 1.…☆20Updated 6 years ago
- ☆31Updated 4 years ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated 2 months ago
- Draft for my book about implementing density functional theory☆19Updated last month
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆28Updated 6 months ago
- Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…☆34Updated this week
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- Julia package for the spin wave theory of magnetically ordered quantum spin systems.☆9Updated last week
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆27Updated this week
- A fully autodifferentiable and variational HF☆41Updated 4 years ago
- Density matrix embedding theory for periodic systems☆18Updated 3 years ago
- A mirror of https://gitlab.kwant-project.org/qt/qsymm☆40Updated 3 months ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆28Updated 3 years ago
- MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics☆14Updated 8 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- Files for QMC Workshop 2021☆57Updated 3 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 2 months ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 9 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆63Updated this week
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆36Updated last week
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Updated 2 weeks ago
- Solve the N-D time-independent Schrödinger equation for a single particle.☆10Updated 5 years ago