liuyxpp / XDSY118019Links
An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.
☆10Updated this week
Alternatives and similar repositories for XDSY118019
Users that are interested in XDSY118019 are comparing it to the libraries listed below
Sorting:
- A Julia wrapper for the spglib C-API☆25Updated 2 weeks ago
- ☆39Updated last month
- Standard input/output package for AtomsBase-compatible structures☆22Updated last month
- Brillouin zones and paths for dispersion calculations in Julia.☆54Updated this week
- Extended XYZ read/write support for Julia☆17Updated 10 months ago
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆65Updated 2 weeks ago
- A playground for Wannier functions☆37Updated last week
- A mathematical look on density-functional theory and DFTK☆34Updated 4 years ago
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆22Updated 5 years ago
- A Julia package for calculating irreducible Brillouin zones for 2D or 3D crystal structures.☆35Updated last month
- Julia package towards classical molecular modeling of nanoporous materials☆54Updated last year
- Tools for crystallographic symmetry analysis☆62Updated last month
- Plane wave density functional theory using Julia programming language☆120Updated last month
- A collection of basic routines for Molecular Dynamics simulations implemented in Julia☆12Updated 10 months ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Updated last month
- Julia Library for Interatomic Potentials☆87Updated 5 months ago
- Material of the seminar "Julia for Materials Modelling"☆30Updated 2 years ago
- ☆13Updated 2 years ago
- A simple Hartree-Fock implementation in Julia☆14Updated 5 years ago
- ☆12Updated 2 months ago
- Julia Bindings for Atomic Simulation Environment☆38Updated 4 years ago
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆33Updated last week
- Julia bindings to the libxc library for exchange-correlation functionals☆23Updated 2 weeks ago
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆20Updated this week
- Julia library to visualize molecules and other chemical structures☆21Updated 2 months ago
- Fast, hackable molecular integrals☆12Updated 2 years ago
- A Julia package for fitting the equation of state of solids, and more☆14Updated 3 weeks ago
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆32Updated 3 months ago
- Atomic Cluster Expansion for Modelling Invariant Atomic Properties☆22Updated 5 months ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆63Updated last week