Yunguo Li's repositories
VASP_MD_XDAT
This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz output.
blockingmethod
This Fortran code calculates statistical uncertainty by using the blocking method. Ref: H. Flyvbjerg, J. Chem. Phys. 91, 461 (1989)
build-instructions
Contains build scripts and instructions for software on a variety of UK HPC resources
Language:ShellGPL-3.0000
gdis
A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
Language:CGPL-2.0000
hello-world
my github
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mac-dev-setup
A beginner's guide to setting up a development environment on macOS
Language:Shell000
pyprocar
A Python library for electronic structure pre/post-processing
Language:PythonGPL-3.0000