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dpdatajdftx
dpdatajdftx PublicForked from deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Python 1
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LammpsDataFileGeneratorKF
LammpsDataFileGeneratorKF PublicForked from cpueschel/Lammps-Data-File-Generator
Generate data file for lammps using force field and a POSCAR (VASP) like input file.
Python
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