Pinned Repositories
2dPoisson
Using iterative relaxation method to solve the 2d Poisson equation
Architector
The architector python package - for 3D organometallic complex design. C22085
ASE_Alt
Improvements to ASE
buildGrapheneFlake
Build graphene monolayer flakes of a specified radius
pyGenSVD
Generalized SVD modules in Python
pyHole
Create atomic surfaces with etched holes
pyRGF
Calculating electronic transport using recursive Green's functions in Python
RenderMol
Render molecules in Blender
RGFTransport
Compute electron transport using RGF method
VASP_Utilities
VASP Utilities
djburrill's Repositories
djburrill/pyRGF
Calculating electronic transport using recursive Green's functions in Python
djburrill/RGFTransport
Compute electron transport using RGF method
djburrill/pyGenSVD
Generalized SVD modules in Python
djburrill/VASP_Utilities
VASP Utilities
djburrill/2dPoisson
Using iterative relaxation method to solve the 2d Poisson equation
djburrill/Architector
The architector python package - for 3D organometallic complex design. C22085
djburrill/ASE_Alt
Improvements to ASE
djburrill/buildGrapheneFlake
Build graphene monolayer flakes of a specified radius
djburrill/pyHole
Create atomic surfaces with etched holes
djburrill/RenderMol
Render molecules in Blender
djburrill/band_unfolding
BandUP: Band Unfolding code for Plane-wave based calculations
djburrill/bib2py
Convert BibTeX documents to Python dictionary
djburrill/programming_party
djburrill/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.
djburrill/Python_Utils
General Python Utilities
djburrill/QE_Utilities
Quantum Espresso Utilities
djburrill/WellFARe-HMO
Implementation of the Extended Hückel Theory quantum chemical method