• 30
• 238
• 17

rest

Rust

Rust-based Electronic-Structure Toolkit (REST), aiming at an efficient computational platform for state-of-the-art DFT and WFT methods in the AI era

• 4
• 2
• 2

rest-dev-ai-agent

REST 开发者 AI Code Agent 规则合辑

• 5
• 2
• 5

rest_doc

REST documentation based on sphinx

• 2
• 9
• 7

rest_regression

A tool to perform regression tests for REST

• 3
• 3
• 5

workshop_for_rest

REST 研讨会系列：从基础到进阶应用；历届研讨会记录

• 1
• 0
• 0

ringo

REST install in one go

• 1
• 0
• 0

igor_group

张颖（Igor Ying Zhang）课题组

• 1
• 2
• 3

rest_workspace

• 1
• 7
• 4

rest_libcint

Provide wrappers for libcint (C)

• 1
• 13
• 8

rest_tensors

rest_tensors is a linear algebra library, which aims at providing efficient tensor operations for the Rust-based electronic structure tool (REST).

• 1
• 13
• 1

rstsr

Rust

An n-dimensional rust tensor library. Mainly maintained on Github.

• 2
• 12
• 5

rest_docker

repository of dockerfile for rest

• 1
• 1
• 0

libxc-rs

LibXC Rust FFI binding and wrapper

• 1
• 0
• 0

rstsr-book

Document of RSTSR, a rust tensor toolkit (maintained at https://github.com/RESTGroup/rstsr-book)

• 1
• 2
• 0

showcase-workshop-rstsr-ricc

REST Workshop：Rust 语言计算化学开发演示

• 1
• 0
• 0

dftd3-rs

simple-dftd3 FFI bindings, wrapper and build-from-source

• 1
• 0
• 0

dftd4-rs

dftd4 FFI bindings, wrapper and build-from-source

• 1
• 1
• 0

bse-rs

Rust

Re-impl Basis Set Exchange in Rust

• 1
• 1
• 0

Batch_Config

• 1
• 1
• 0

qemb