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carriercapture.jl

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

casmcode

First-principles statistical mechanical software for the study of multi-component crystalline solids

cctbx_project

Computational Crystallography Toolbox

cegann

Crystal Edge Graph Attention Neural Network

celllistmap.jl

Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbour lists, etc.

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

cgenarris

C code and Python API for random molecular crystal structure generation

charged-defects

charged defect analysis

charged-defects-1

charged-defects-framework

python and bash scripts for setting up and post-processing of charged defects calculations

chatgpt_academic

科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python工程剖析功能/自我剖析功能

cheatsheets

Official Matplotlib cheat sheets

cheatsheets-1

Community-sourced cheatsheets

cheatsheets-ai

Essential Cheat Sheets for deep learning and machine learning researchers https://medium.com/@kailashahirwar/essential-cheat-sheets-for-machine-learning-and-deep-learning-researchers-efb6a8ebd2e5

chemfiles

Library for reading and writing chemistry files

chinook

Python module for simulating matrix-elements in ARPES using a tight-binding model

chromium

Chromium browser with SSL VPN. Use this browser to unblock websites.

cif2cell

cif2cell compatible with Python 3+

cmake-cookbook

CMake Cookbook recipes.

cmake-demo

《CMake入门实战》源码

comp-phys

Computational Physics

compphy

Miscellenous code and python notebooks to study models of statistical physics - https://github.com/rajeshrinet/compPhy

computationalphysics

For best reading of the website use

computationalphysics300

computational physics class taught at UNLV (Phys300)

computational_physics_a

计算物理A（丁泽军/孙霞）- 代码报告

computational_physics_j.m.thijssen

Implementations of programs in Computational Physics by J. M. Thijssen

correlation

This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(r)) and Plane Angle Distribution (PAD).

coulomb-correction-in-charged-defects

Correction to spurious coulomb interaction between periodic images in charged defect calculation

cp-paw

Main repository for the CP-PAW code

cplap

CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of the constituent elements' chemical potentials within which it is stable, in comparison with competing phases and the elemental forms.