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awesome-chatgpt-prompts-zh

ChatGPT 中文调教指南。各种场景使用指南。学习怎么让它听你的话。

awesome-cpp

A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff.

awesome-crystal-gnns

This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials

awesome-fortran

Awesome list of Fortran libs

awesome-linux-software

A list of awesome applications, software, tools and other materials for Linux distros.

awesome-mac

 Now we have become very big, Different from the original idea. Collect premium software in various categories.

awesome-materials-informatics

Curated list of known efforts in materials informatics

bachelor

bandftn

Bandstructure calculations using the empirical pseudopotential method.

bandgap_predictor

Band gap Prediction using machine learning techniques

bandstructureplots

Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.

bapt

Band alignment plotting tool

bash-tutorial

Bash 教程

bcc-fe-exchange-model

A tutorial on how to obtain magnetic exchange parameters for BCC Fe using first-principles density functional theory calculations.

beautiful-atoms

Python module for drawing and rendering beautiful atoms and molecules using Blender.

berry

Calculates Berry connections and other properties from DFT packages

berrypi

Software to study polarization of crystalline solids with density functional all-electron package

biteduml

北京理工大学<Python机器学习应用>超详细学习笔记和代码注释(未完待续)

boxes

Command line ASCII boxes unlimited!

brille

A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.

brillouin-zones

bspline-fortran

Multidimensional B-Spline Interpolation of Data on a Regular Grid

burkardt-fortran-90

Classification of John Burkardt's many Fortran 90 codes

bz_plot

Brillouin zone plot

bzintegral.f90

The recursive hybrid tetrahedron method for Brillouin-zone integrals in 2D/3D

bzmeshbandsdos

Band Structure and Density of States computation of the Brillouin Zone.

bzviewer

Given reciprocal lattice vectors, construct a three dimensional Brillouin Zone.

c-plus-plus

Collection of various algorithms in mathematics, machine learning, computer science and physics implemented in C++ for educational purposes.

calc-ir-spectra-from-lammps

This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.

carriercapture.jl

Package to compute trap-assisted electron and hole capture in semiconducting compounds