Vei Wang's repositories
aachen_introduction_dftk
A short lecture introducing plane-wave DFT methods and DFTK
arpes
Mirror of PyARPES (gitlab/lanzara-group/python-arpes) the open source ARPES analysis framework
awesome-materials-informatics
Curated list of known efforts in materials informatics
BZIntegral.f90
The recursive hybrid tetrahedron method for Brillouin-zone integrals in 2D/3D
cp-paw
Main repository for the CP-PAW code
emergent_phenomena_in_van_der_Waals_school_tifr_2023
Teaching materials of the school "Emergent phenomena in van der Waals heterostructures", TIFR 2023
fitpack
A Modern Fortran translation of the FITPACK package for curve and surface fitting
fortuno
User friendly, flexible and extensible object-oriented Fortran unit testing framework for testing serial, MPI-parallelized and coarray-parallelized applications
gemmi
macromolecular crystallography library and utilities
mendeleev
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
mit_model_code
XGBoost models to classify materials with metal-insulator transition behavior
mpds-ml-labs
This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).
mpld3
D3 Renderings of Matplotlib Graphics
ogpf
ogpf is Object based interface to GnuPlot from Fortran 2003, 2008 and later
pikepdf
A Python library for reading and writing PDF, powered by qpdf
pivotpy
Python Processing Tool for Vasp Ipnut/Output
qha
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
qhull
Qhull development for www.qhull.org -- Qhull 2020.2 (8.1-alpha1) at https://github.com/qhull/qhull/wiki
ShakeNBreak
Defect structure-searching method employing chemically-guided bond distortions to locate ground-state and metastable structures of point defects in solid materials.
spgrep
On-the-fly generator of space-group irreducible representations
StringiFor
Strings Fortran Manipulator with steroids
VASP-tutorial
Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research of Catalonia (ICIQ) during September 2021.
vasp2spn
Generating wannier90.spn from VASP file with PAW all-electron wavefunctions.
vasp_wannier90
create wannier90 input files from VASP runs for high-throughput calculations
VaspGibbs
A simple way to calculate Gibbs free energy from Vasp calculations
vispy
Main repository for Vispy
voro
Voro++: a three-dimensional Voronoi cell library in C++