Pinned Repositories
aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
aiida-core
The official repository for the AiiDA code
aiida-lammps
LAMMPS plugin for AiiDA
aiida-phonopy
Phonon for AiiDA
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiida-registry
Find plugins for AiiDA
aiida-vibroscopy
Automated all-functionals infrared and Raman spectra, and phonons.
aiida-vibroscopy-demo
Demonstration of the AiiDA-Vibroscopy package.
bibliography
Bibtext bibliography
CellConstructor
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
bastonero's Repositories
bastonero/aiida-vibroscopy
Automated all-functionals infrared and Raman spectra, and phonons.
bastonero/aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
bastonero/aiida-core
The official repository for the AiiDA code
bastonero/aiida-lammps
LAMMPS plugin for AiiDA
bastonero/aiida-phonopy
Phonon for AiiDA
bastonero/aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
bastonero/aiida-registry
Find plugins for AiiDA
bastonero/aiida-vibroscopy-demo
Demonstration of the AiiDA-Vibroscopy package.
bastonero/bibliography
Bibtext bibliography
bastonero/CellConstructor
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
bastonero/compilation-instructions
Instructions to reproduce binaries and codes for atomistic simulations.
bastonero/flare
An open-source Python package for creating fast and accurate interatomic potentials.
bastonero/phonopy
Phonon code
bastonero/plumpy
A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
bastonero/python-sscha
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
bastonero/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
bastonero/QERaman
A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO