times-software / OCEANLinks
BSE code for core spectroscopy
☆22Updated 3 months ago
Alternatives and similar repositories for OCEAN
Users that are interested in OCEAN are comparing it to the libraries listed below
Sorting:
- ☆12Updated last week
- ☆29Updated 2 months ago
- A Jupyter widget to plot bandstructure and density of states.☆17Updated last year
- python wrapper for fdmnes data input/output☆13Updated 4 years ago
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆13Updated 5 months ago
- Python package for uncertainty quantification in CALPHAD☆12Updated 11 months ago
- A simulation package of phonon-phonon interaction related properties☆149Updated last week
- Suite of programs to simulate disordered and nanomaterials☆60Updated last week
- RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine☆26Updated 2 months ago
- Fermi surface generation, analysis and visualisation.☆98Updated 3 weeks ago
- Scripts to calculate elastic properties from a set of strained structures☆19Updated last year
- A Python library to calculate elastic properties of materials.☆59Updated 4 months ago
- Thermodynamic Phase Diagram Generator☆56Updated 3 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆35Updated last week
- A poor man's density functional theory program☆14Updated this week
- Python framework for generating and validating pseudo potentials☆48Updated 2 years ago
- A physics computational framework for python and ipython☆38Updated 4 months ago
- Mirror of PyARPES (gitlab/lanzara-group/python-arpes) the open source ARPES analysis framework☆43Updated last year
- Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.☆44Updated last week
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated last month
- High-Throughput Computational Physics Framework☆13Updated 8 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 3 weeks ago
- Course materials for "Applied AI for Materials Science and Engineering"☆67Updated 3 years ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆39Updated 11 months ago
- A JupyterLab launcher extension to view the molecular orbitals.☆19Updated last year
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 months ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- Plots IR spectra from from ORCA output files☆22Updated last year
- Data structures, algorithms, and parsing for crystallography☆52Updated 10 months ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year