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XueFei Liu's Projects

physics_related icon physics_related

Notebooks for the python tutorials of my youtube channel. See specific youtube video for link to specifc notebook.

presto icon presto

Open source pulsar search and analysis toolkit

prog4comp_2 icon prog4comp_2

Resources for the 2nd edition of "Programming for Computations" by S. Linge and H.P. Langtangen

pyband icon pyband

band plot using python matplotlib

pydef-2.0 icon pydef-2.0

PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulation Package (VASP) featuring a user-friendly Graphical User Interface (GUI).

pydii icon pydii

Python framework for Defects In Intermetallics

pylada-defects icon pylada-defects

A computational framework to automate point defect calculations

pylada-light icon pylada-light

A physics computational framework for python and ipython

pyprocar icon pyprocar

A python package for analyzing PROCAR files obtained from VASP and Abinit

q-e icon q-e

Mirror of the Quantum ESPRESSO repository

sc-fermi icon sc-fermi

Calculates self-consistent Fermi level given defect formation energies and the density of states.

schnetpack icon schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

schnorb icon schnorb

Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

school icon school

All my code for various classes during my physics undergrad degree

slabcc icon slabcc

SLABCC: Total energy correction code for charged periodic slab models

supercell icon supercell

The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

tess icon tess

Python bindings to the voro++ library.

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