Pinned Repositories
compound
pre-process MD simulations
csh-maker
foyer
A package for atom-typing as well as applying and disseminating forcefields
lammps
Public development project of the LAMMPS MD software package
nkmodel
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.
reata_scripts
test
foyer
A package for atom-typing as well as applying and disseminating forcefields
amorshedi's Repositories
amorshedi/reata_scripts
amorshedi/compound
pre-process MD simulations
amorshedi/csh-maker
amorshedi/foyer
A package for atom-typing as well as applying and disseminating forcefields
amorshedi/lammps
Public development project of the LAMMPS MD software package
amorshedi/nkmodel
amorshedi/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.
amorshedi/test