Nan Xu

VASP_script. Useful scripts for VASP

VASPKIT_manual. VASPKIT_manual markdown source!

XDATCAR_toolkit. XDATCAR_toolkit- A tool for convert XDATCAR to PDB

VEUSZ-for-GPUMD. VEUSZ plotting scripts for GPUMD simulations

CP2K_scripts. Python

GMX. GMX——tools

Lammps_tools. Tools for Lammps dump files (based on pizza.py)

Plot_scripts_Matplotlib. Python

VASP6-installation. files used in the installation of VASP6

GMX_tools. Gromacs tools

Neural_Network_Potential-nnp-. Python

My_opls_AA. Minimal version of opls-aa

MS_scripts. Perl

CUDA-Programming. Sample codes for my CUDA programming book