Pinned Repositories
torchani
Accurate Neural Network Potential on PyTorch
GPUMD
Graphics Processing Units Molecular Dynamics
CP2K_scripts
GMX
GMX——tools
Lammps_tools
Tools for Lammps dump files (based on pizza.py)
VASP_script
Useful scripts for VASP
VASPKIT_manual
VASPKIT_manual markdown source!
VEUSZ-for-GPUMD
VEUSZ plotting scripts for GPUMD simulations
XDATCAR_toolkit
XDATCAR_toolkit- A tool for convert XDATCAR to PDB
veusz
Veusz scientific plotting application
tamaswells's Repositories
tamaswells/VASP-Utilities
A collection of command line utilities for manipulating VASP input / outpu
tamaswells/pyband
band plot using python matplotlib
tamaswells/vasp-inputs
VASP input models
tamaswells/bomc
Monte Carlo based generator of defect-free amorphous samples of Si and SiO2
tamaswells/cif2vasp
Converts (most) CIF files to VASP's POSCAR format
tamaswells/matplotlib-user-guide-zh
:book: [译] Matplotlib 用户指南
tamaswells/molecule-viewer
3D chemical molecule visualizer for XYZ files.
tamaswells/myScripts
Script library mainly about chemical physics.
tamaswells/opengl-3d-molecules-hardecoded-xyz
Have fun with OpenGL ;)
tamaswells/pymatgen_examples
Some examples of using pymatgen code
tamaswells/pyOpenGL-Samples
pyOpenGL examples(assignments) for computer graphics course at DA-IICT
tamaswells/scripts
tamaswells/VASP_STM_SIMULATION
tamaswells/VASP_TDM
Transition Dipole Moments from VASP WAVECAR
tamaswells/VaspBandUnfolding
a python class for dealing with VASP WAVECAR.