Pinned Repositories
2018-06-11-Gothenburg
Workshop page for SWC workshop in Gothenburg on June 11, 2018.
2018-06-11-Gothenburg-Teaching-materials
espresso-5.4.0
espresso-6.0-beta
flight_path_with_solar_terminator
Playing around with JavaScript and D3.
meetup
The PyData Zurich meetup
PyConDE2017-Theoretical_physics_with_sympy
Notebooks for my talk at PyConDE 2017 in Karlsruhe.
PydataZurich_Kernels_in_Jupyter
Materials for my talk on kernels in Jupyter at PyData Zurich in August 2017.
tensormoments
Parsing scripts for tensor moment calculations in VASP and elk.
Dockerfiles
Dockerfiles for commonly used HPC applications in the Materials Theory group.
fthoele's Repositories
fthoele/flight_path_with_solar_terminator
Playing around with JavaScript and D3.
fthoele/PyConDE2017-Theoretical_physics_with_sympy
Notebooks for my talk at PyConDE 2017 in Karlsruhe.
fthoele/espresso-5.4.0
fthoele/tensormoments
Parsing scripts for tensor moment calculations in VASP and elk.
fthoele/2018-06-11-Gothenburg
Workshop page for SWC workshop in Gothenburg on June 11, 2018.
fthoele/2018-06-11-Gothenburg-Teaching-materials
fthoele/espresso-6.0-beta
fthoele/meetup
The PyData Zurich meetup
fthoele/PydataZurich_Kernels_in_Jupyter
Materials for my talk on kernels in Jupyter at PyData Zurich in August 2017.
fthoele/pw2wannier90
Development version of the pw2wannier90 interface with ultrasoft pseudopotentials and noncollinear calculations.
fthoele/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
fthoele/q-e
Official mirror of Quantum ESPRESSO
fthoele/wannier90
Official repository of the Wannier90 code