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100-plus-python-programming-exercises-extended

100+ python programming exercise problem discussed ,explained and solved in different ways

3

GPU-accelerated micromagnetic simulator

aflow

Python API wrapping the AFLUX API language for AFLOW library.

aiida-uppasd

AiiDA plugin for the atomistic spin dynamics code UppASD

asd2vtk

ASD2VTK is a Python tool that enables easy conversion of output data from UppASD simulations to VTK files for easy visualization and post-processing in Paraview.

band-pdos_plot

Able to draw the spin and non-spin band structure

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

coursera-ml-andrewng-notes

吴恩达老师的机器学习课程个人笔记

cuda-lab-exercises

CUDA lab exercises for the PDC summer school

day1-basics

Introduction and bcc Fe

day2-dft_dmft

DFT+SPTF for bcc Fe and DFT+U for NiO

draw_band_dos

A simple script to draw band structure and DOS diagram

exchanges

Exchange parameters of Heisenberg model calculation via Green's function approach

fermi-surface

VASP subtool to draw Fermi-Surface; creates input file for Xcrysden

git_test

hsuantienlin_machinelearning

ifermi

Fermi surface generation, analysis and visualisation.

machine_learning_approach_to_iron_based_soft_magnetic_nanocrystalline_materials_design

Machine learning approach to Fe-based soft magnetic nanocrystalline materials design

mcsolver

A user friendly tools using Monte Carlo simulations for estimation of Curie temperature

mpi-lab-exercises

MPI exercises used for the Introduction to MPI course

mufa

A tool for multi-type Fourier analysis from micromagnetic simulation output data

openmp-lab-exercises

pyband

band plot using python matplotlib

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.

pymatgen_bs_dos_plot

python_1d_dft

1D density functional theory code in Python

pyvaspflow

vasp calculation flow

question

raman-spectra

拉曼光谱数学模型

rspt-tutorial

Material for RSPt video tutorial