技術の家庭菜園
id:tpcbtw
VPMDK: Run Modern Machine-Learning Potentials Without Leaving Your VASP Workflow
VPMDK is a VASP-style command-line interface for running modern machine-learning potentials. Keep POSCAR/INCAR workflows, switch MLP backends with BCAR, and get familiar outputs such as OUTCAR, OSZICAR, vasprun.xml, XDATCAR, and optional CHGCAR.
