Pinned Repositories
aiida-vasp
A plugin to AiiDA for running simulations with VASP
aiida-phonoxpy
cogue
Crsytal simulation tools
kspclib
Toolkit for reciprocal space of crystal lattice
niggli
phonondb
URL links to phonondb data
phono3py
A simulation package of phonon-phonon interaction related properties
phonopy
Phonon code
spglib
C library for finding and handling crystal symmetries
symfc
Generate symmetrized force constants
atztogo's Repositories
atztogo/phonondb
URL links to phonondb data
atztogo/cogue
Crsytal simulation tools
atztogo/niggli
atztogo/kspclib
Toolkit for reciprocal space of crystal lattice
atztogo/aiida-phonoxpy
atztogo/AiiDA-tutorial-ISSP
AiiDA tutoarial at ISSP Tokyo university in 2019
atztogo/lammps-polymlp-package
A user package of LAMMPS software enabling simulations using linearized machine learning potentials
atztogo/polymlpltc
Lattice thermal conductivity calculation using polynomial machine learning potentials
atztogo/aiida-donothing
AiiDA calculation plugin for doing nothing
atztogo/aiida-nims-scheduler
atztogo/aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
atztogo/aiida-registry
Find plugins for AiiDA
atztogo/AiiDA-tutorial-Japan-2021-Spring
atztogo/aiida-tutorials
AiiDA tutorials web site
atztogo/aiida-vasp
A plugin to AiiDA for running simulations with VASP
atztogo/ALM
atztogo/atztogo.github.com
atztogo/clupan
atztogo/parsevasp
A general parser for VASP
atztogo/phono3py-feedstock
A conda-smithy repository for phono3py.
atztogo/phonopy-feedstock
A conda-smithy repository for phonopy.
atztogo/pypolymlp
Generator of polynomial machine learning potentials
atztogo/seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
atztogo/sheartwin
atztogo/snf3x3
Computing Smith normal form for 3x3 matrices
atztogo/spglib
C library for finding and handling crystal symmetries
atztogo/spglib-feedstock
A conda-smithy repository for spglib.
atztogo/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
atztogo/symfc
Generate symmetrized force constants
atztogo/yapyNFFT
An NFFT python wrapper