atomistic

There are 5 repositories under atomistic topic.

lamm-mit/DynaGen
The DynaGen model allows the prediction of dynamical field data based on microstructure input. The model is exemplified to dynamic fracture problems in brittle materials.
Language:Jupyter Notebook9 1 02
pyiron/structuretoolkit
build, analyse and visualise atomistic structures for materials science
Language:Python7 5 190
sreeharshab/scalar_codes
Codes for automating standard VASP and VASP-related calculations.
Language:Python7 1 01
EMMC-ASBL/oteapi-asmod
OTEAPI plugins for atom-scale modelling
Language:Python0 4 40
ricalessandri/PolyP3HT
Polymerize Atomistic P3HT
Language:Shell1 0