cpashartis
A Materials Scientist / Physicist passionate about efficient, consistent, testable and useful code.
IMECBelgium
Pinned Repositories
cp2k
Quantum chemistry and solid state physics software package
2D_NLCE_DMRG
Codes, scripts, and files needed for the 2D linked cluster expansion with DMRG cluster solver
abipy
Open-source library for analyzing the results produced by ABINIT
fireworks
The Fireworks Workflow Management Repo.
LCAO_tightbinding
MACE
Mesh Adaptation through Configurational Energy
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
QMB---Lunniger-Liquid
Universality_Class
Contains scripts which pulls data from sharcnet and then analyzes it to find the universality class number.
api
New API client for the Materials Project
cpashartis's Repositories
cpashartis/MACE
Mesh Adaptation through Configurational Energy
cpashartis/2D_NLCE_DMRG
Codes, scripts, and files needed for the 2D linked cluster expansion with DMRG cluster solver
cpashartis/abipy
Open-source library for analyzing the results produced by ABINIT
cpashartis/fireworks
The Fireworks Workflow Management Repo.
cpashartis/LCAO_tightbinding
cpashartis/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
cpashartis/QMB---Lunniger-Liquid
cpashartis/Universality_Class
Contains scripts which pulls data from sharcnet and then analyzes it to find the universality class number.