hongzhentian Goto Github PK
Type: User
hongzhentian's Projects
atat_scripts
Useful scripts for Alloy Theoretic Automated Toolkit
cif2vasp
Converts (most) CIF files to VASP's POSCAR format
code-samples
Source code examples from the Parallel Forall Blog
custodian
A simple, robust and flexible just-in-time job management framework in Python.
dpdata
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
dpgen
The deep potential generator
elatools
ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
elpmmat
a program to calculate elastic constantes
fireworks
The Fireworks Workflow Management Repo.
poscar2xsf
Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)
pwmat-doc
PWmat-doc
pwmat_atat_interface
pwmat_atat_interface is a interface between pwmat and atat, writed by CSHELL
pwmat_dpdata
the interface between pwmat and dpdata
pwmat_dpgen
the interfac between pwmat and dpgen
pybamm
Fast and flexible physics-based battery models in Python
q-cad-documentations
Q-CAD documentations writed by sphinx
shoc
The SHOC Benchmark Suite
taufactor
TauFactor is a parallelised solver for calculating tortuosity factors from voxel data.
vasp2cif
A program that converts VASP POSCAR files to crystallographic information file format (CIF)
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