lilithean
Research Assistant Department of Wizardary and Alchemical Engineering
University at Buffalo
Pinned Repositories
abinitio_ml
Discover the potential of machine learning applied to the first-principle calculation field
cpptest
A very basic cpp program
crystalspells
crystalspells2
crystalspells3
c++ variation of crystalspells. python version may stop at some point in the future
EPC_GRID_SPLITTING
Electron-Phonon Coupling (EPC) calculation in Quantum Espresso program with q-mesh and irreducible representation splitting
q-e
Mirror of the Quantum ESPRESSO repository
qe_phonon_movie
Create xcrysden animation from QE phonon calculation
randSpg
Random symmetric initialization of crystals
RotQ
Running on the Queue Job Manager
lilithean's Repositories
lilithean/EPC_GRID_SPLITTING
Electron-Phonon Coupling (EPC) calculation in Quantum Espresso program with q-mesh and irreducible representation splitting
lilithean/crystalspells
lilithean/abinitio_ml
Discover the potential of machine learning applied to the first-principle calculation field
lilithean/cpptest
A very basic cpp program
lilithean/crystalspells2
lilithean/crystalspells3
c++ variation of crystalspells. python version may stop at some point in the future
lilithean/q-e
Mirror of the Quantum ESPRESSO repository
lilithean/qe_phonon_movie
Create xcrysden animation from QE phonon calculation
lilithean/randSpg
Random symmetric initialization of crystals
lilithean/RotQ
Running on the Queue Job Manager
lilithean/spglib
C library for finding and handling crystal symmetries
lilithean/XtalOpt
Official public repository for the XtalOpt crystallographic evolutionary algorithm
lilithean/xtalopt.github.io
Home of XtalOpt: an evolutionary crystal structure prediction algorithm
lilithean/xtlpst
POSTPROCESSING TOOLS FOR XTALOPT