.gitignore
MANIFEST.in
README.en.md
README.md
setup.py
.gitee/ISSUE_TEMPLATE.zh-CN.md
.gitee/PULL_REQUEST_TEMPLATE.zh-CN.md
ccnb/MigrationNetworkLatticeSites.py
ccnb/__init__.py
ccnb/bvse_cavd.py
ccnb/cavd_channel.py
ccnb/main.py
ccnb/mergecluster.py
ccnb/neb_packages.py
ccnb/path_poscar.py
ccnb/vasp_inputs.py
ccnb/vasp_parse.py
ccnb/zip_paths.py
ccnb.egg-info/PKG-INFO
ccnb.egg-info/SOURCES.txt
ccnb.egg-info/dependency_links.txt
ccnb.egg-info/entry_points.txt
ccnb.egg-info/requires.txt
ccnb.egg-info/top_level.txt
ccnb/bvse/BVAnalysis.py
ccnb/bvse/BVSEParam.dat
ccnb/bvse/Structure.py
ccnb/bvse/__init__.py
ccnb/bvse/bvmparam.dat
ccnb/bvse/bvse.dat
ccnb/bvse/elements.dat
docs/用户手册.docx
example/cal_single_path.py
example/kmc.py
example/non_equivalent_paths.py
example/LGPS/LGPS.bvse.grd
example/LGPS/LGPS.cif
example/LGPS/LGPS.net
example/LGPS/LGPS.npy
example/LGPS/LGPS.resex
example/LGPS/LGPS.vesta
example/LGPS/LGPS_mergecluster.net
example/LGPS/LGPS_origin.net
example/LiScGeO4/POSCAR
example/LiScGeO4/icsd_062481
example/LiScGeO4/icsd_062481.bvse.grd
example/LiScGeO4/icsd_062481.cif
example/LiScGeO4/icsd_062481.net
example/LiScGeO4/icsd_062481.npy
example/LiScGeO4/icsd_062481.resex
example/LiScGeO4/icsd_062481.vesta
example/LiScGeO4/icsd_062481_mergecluster.net
example/LiScGeO4/icsd_062481_neb_paths.zip
example/LiScGeO4/icsd_062481_nonequalpaths.txt
example/LiScGeO4/icsd_062481_origin.net
example/LiScGeO4/paths/path_0/INCAR
example/LiScGeO4/paths/path_0/KPOINTS
example/LiScGeO4/paths/path_0/POSCAR
example/LiScGeO4/paths/path_0/POSCAR1
example/LiScGeO4/paths/path_0/POSCAR2
example/LiScGeO4/paths/path_0/POSCAR_base
example/LiScGeO4/paths/path_0/POSCAR_path
example/LiScGeO4/paths/path_0/POTCAR
example/LiScGeO4/paths/path_0/vasp.lsf
example/LiScGeO4/paths/path_0/00/POSCAR
example/LiScGeO4/paths/path_0/01/POSCAR
example/LiScGeO4/paths/path_0/02/POSCAR
example/LiScGeO4/paths/path_0/03/POSCAR
example/LiScGeO4/paths/path_0/04/POSCAR
example/LiScGeO4/paths/path_0/05/POSCAR
example/LiScGeO4/paths/path_0/06/POSCAR
example/LiScGeO4/paths/path_0/07/POSCAR
example/LiScGeO4/paths/path_0/08/POSCAR
example/LiScGeO4/paths/path_0/09/POSCAR
example/LiScGeO4/paths/path_0/10/POSCAR
example/LiScGeO4/paths/path_0/11/POSCAR
example/LiScGeO4/paths/path_0/12/POSCAR
example/LiScGeO4/paths/path_0/13/POSCAR
example/LiScGeO4/paths/path_0/14/POSCAR
example/LiScGeO4/paths/path_0/15/POSCAR
example/icsd_221/icsd_221.bvse.grd
example/icsd_221/icsd_221.cif
example/icsd_221/icsd_221.net
example/icsd_221/icsd_221.resex
example/icsd_221/icsd_221.vesta
example/icsd_221/icsd_221_BVSE.npy
example/icsd_221/icsd_221_BVSE.pgrid
example/icsd_221/icsd_221_Pm-3m_092238.cif
example/icsd_221/icsd_221_mc.txt
example/icsd_221/icsd_221_origin.net