Pinned Repositories
gchemol
Graph based CHEMical Object Library
dimer
DIMER algorithm for reaction path optimization
gosh
Rusty framework for multiscale/multilevel modeling
magman
gchemol
Graph based CHEMical Object Library (legacy)
lindemann-index
Fast Algorithm for Lindemann Index Calculation
rust-fortran
call fortran from rust
rust-lbfgs
LBFGS optimization algorithm ported from liblbfgs
rust-lbfgsb
Ergonomic bindings to L-BFGS-B code for Rust
rust-octree
rust implementation of octree algorithm for nearest neighbor search in 3D space
ybyygu's Repositories
ybyygu/rust-octree
rust implementation of octree algorithm for nearest neighbor search in 3D space
ybyygu/rust-lbfgs
LBFGS optimization algorithm ported from liblbfgs
ybyygu/rust-lbfgsb
Ergonomic bindings to L-BFGS-B code for Rust
ybyygu/molecule-viewer
A simple molecule viewer in your browser
ybyygu/rime-wubi98
ybyygu/rust-libecpint
ybyygu/trajectory-analysis
Tools for analysis of trajectory files produced in MD simulation
ybyygu/ui-hack
Input files generator for various QM codes
ybyygu/xtb-model
xtb-model for gosh
ybyygu/bevy_panorbit_camera-egui-bug
A simple pan and orbit camera for the Bevy game engine
ybyygu/doom-emacs
An Emacs configuration for the stubborn martian vimmer
ybyygu/edip
Environment-dependent interatomic potential (EDIP) for Rust
ybyygu/elastic-network-model
ybyygu/emacs
个人文本交互系统
ybyygu/emacs-scratch
个人文本交互系统
ybyygu/gaussian-tools
Tools for Gaussian, the computational chemistry software package.
ybyygu/gchemol-view
A simple molecule viewer
ybyygu/interactive-rename
Rename files interactively
ybyygu/libzotero
ybyygu/magman
Renamed https://github.com/spdkit/magman
ybyygu/manylinux
docker image for compiling codes using manylinux to avoid glibc issue
ybyygu/minijinja
MiniJinja is a powerful but minimal dependency template engine for Rust
ybyygu/qsubmit
simple self schedule system
ybyygu/rime-98
ybyygu/rust-mode
Emacs configuration for Rust
ybyygu/sbfiles
Copy/paste files using terminal scrollback buffer
ybyygu/sensible-env-logger
A pretty, sensible, easy-to-use logger for Rust.
ybyygu/vasp-tools
experimental tools for VASP
ybyygu/xDH4Gau
A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)
ybyygu/zoxide
A smarter cd command. Supports all major shells.