deepmodeling

deepmodeling/dpdata

A Python package for manipulating atomistic data of software in computational science

215 stars 150 forks 215 watchers Python GNU Lesser General Public License v3.0

atomic-data python

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2 Open Issues Need Help Last updated: Sep 10, 2025

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[BUG] only "VOLUME and BASIS-vectors are now included. " 3 months ago

bug help wanted vasp

deepmodeling/dpdata

215

A Python package for manipulating atomistic data of software in computational science

Python

#atomic-data#python

the structure file lammps.lmp can not be transformed to lammps.dump 3 months ago

enhancement help wanted lammps

deepmodeling/dpdata

215

A Python package for manipulating atomistic data of software in computational science

Python

#atomic-data#python