9 projects
atomate2
atomate2 is a library of materials science workflows
sumo
Heavy weight plotting tools for ab initio solid-state calculations
ifermi
Fermi surface plotting tool from DFT output
jobflow
jobflow is a library for writing computational workflows
robocrys
Automatic generation of crystal structure descriptions
amset
AMSET is a tool to calculate carrier transport properties from ab initio calculation data
bapt
Band alignment plotting tool
pytaser
TAS prediction tool
galore
Broadening and weighting for simulated spectra
