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deepmd-kit
deepmd-kit PublicForked from deepmodeling/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
C++
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dpdata
dpdata PublicForked from deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Python
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vasp_script
vasp_script PublicSome scripts to perform post-processing or generate input files on VASP calculation.
Python
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AutoVestaDraw
AutoVestaDraw PublicA tool for drawing vaspcar file or cif file by VESTA automatically.
Python 1
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