{"library":"dpdata","type":"library","category":null,"description":"A Python library for manipulating data formats of DeePMD-kit, VASP, QE, PWmat, LAMMPS, ABACUS, and other computational chemistry/DFT codes. It provides a unified interface to read, write, convert, and process atomic simulation data including coordinates, forces, energies, and stress tensors. Current version: 1.0.1, with a stable API after the 1.0.0 release. Release cadence: approximately 1-2 months per minor/patch version.","language":"python","status":"active","version":"1.0.1","tags":["computational-chemistry","DFT","molecular-dynamics","DeePMD","VASP","LAMMPS","ABACUS","data-conversion"],"last_verified":"Fri May 01","install":[{"cmd":"pip install dpdata","imports":["from dpdata import System","from dpdata import MultiSystems"]}],"homepage":"https://dp.tech","github":"https://github.com/deepmodeling/dpdata","docs":"https://docs.deepmodeling.com/projects/dpdata","changelog":null,"pypi":"https://pypi.org/project/dpdata/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":null}