Codes for automating standard VASP and VASP-related calculations.
materials
vasp
molecular-simulation
surfaces
grain-boundaries
vasp-calculations
vasp-processing
atomistic
-
Updated
May 7, 2024 - Python
Codes for automating standard VASP and VASP-related calculations.
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.
build, analyse and visualise atomistic structures for materials science
OTEAPI plugins for atom-scale modelling
Polymerize Atomistic P3HT
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