Pinned Repositories
aiida-tutorials
AiiDA tutorials web site
bandStructure_with_colors
band structure with colormaps
bandstructureplots
Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
MacroDensity
Analyse VASP density & potential grids using python
NAMD
Non-Adiabatic Molecular Dynamics
polaron
Carrier dynamics coupled with quasiparticles
PROCAR_band_projection
To project band on atoms using vasp PROCAR
projected_band_structure
To plot elemental projected band structure for VASP
pyvaspwfc
a python class for dealing with VASP WAVECAR.
small_polaron_package
initialize polaron topology by enlongating bonds around asummed polaron localized site(s).
liming-liu's Repositories
liming-liu/NAMD
Non-Adiabatic Molecular Dynamics
liming-liu/polaron
Carrier dynamics coupled with quasiparticles
liming-liu/PROCAR_band_projection
To project band on atoms using vasp PROCAR
liming-liu/projected_band_structure
To plot elemental projected band structure for VASP
liming-liu/small_polaron_package
initialize polaron topology by enlongating bonds around asummed polaron localized site(s).
liming-liu/aiida-tutorials
AiiDA tutorials web site
liming-liu/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
liming-liu/bitbar
Put the output from any script or program in your Mac OS X Menu Bar
liming-liu/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
liming-liu/distortion_hotmap
liming-liu/DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
liming-liu/gcc
liming-liu/i-pi
i-PI: a universal force engine
liming-liu/liming-liu.github.io
liming-liu/lmp
liming-liu/log
recording PMP life
liming-liu/nac_sc
liming-liu/phononwebsite
Visualise lattice vibrations
liming-liu/plumed2
Development version of plumed 2
liming-liu/poscar.py
parse VASP POSCAR
liming-liu/pyband
band plot using python matplotlib
liming-liu/reveal.js
The HTML Presentation Framework
liming-liu/RPMD
liming-liu/seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
liming-liu/SISSO
A data-driven method based on compressed-sensing for identifying descriptors for materials properties and functions
liming-liu/VASP-plot-modes
Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
liming-liu/vasp_pykit
liming-liu/VASP_WAVECAR
liming-liu/VaspPoscarMayavi
Use 3D visualization software Mayavi to visualize VASP POSCAR file.
liming-liu/VaspVib2XSF
Visualize vibrational modes from VASP calculations