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pyplot-fortran

For generating plots from Fortran using Python's matplotlib.pyplot 📈

pyplotcdt

Defect formation energies plots with Python

pypolyhedron

Python3 support for PyPolyhedron by Pearu Peterson from http://cens.ioc.ee/projects/polyhedron/

pyprocar

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

pyqula

Python library to compute different properties of quantum tight binding models in a lattice

pyrho

A real-space DFT code

python-cheatsheets

python-knowledge-handbook

Python Knowledge Handbook by Python数据之道， website： http://liyangbit.com/

python-machine-learning-book-2nd-edition

The "Python Machine Learning (2nd edition)" book code repository and info resource

python-science-tutorial

Series of notebooks to illustrate different plotting features using Python

python-scientific-computation

《Python科学计算》第二版张若愚老师的演示代码

python-ternary

:small_red_triangle: Ternary plotting library for python with matplotlib

python_1d_dft

1D density functional theory code in Python

python_for_data_analysis_2nd_chinese_version

《利用Python进行数据分析·第2版》

pythoncompphys

Some python workbooks with various topics from Computational Physics

pythonlearning

pyvasp

python VASP command

pywannier90

A Wannier90 python interface for PySCF

pyxtal

A code to generate crystal structure

q-e

Mirror of the Quantum ESPRESSO repository

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

qsymm

quadpack

Modern Fortran QUADPACK Library for 1D numerical quadrature

quantum-espresso-tutorial-2019-projects

quantum-honeycomp

Package to perform tight binding calculation in tight binding models, with a friendly user interface

quantum-mobile

A Virtual Machine for computational materials science

randspg

Random symmetric initialization of crystals

robocrystallographer

Automatic generation of crystal structure descriptions.

rocky-river-hpc

for buiding and managing hpc