GitHub - MI0SAMA/libyao: the scripts for material simulation analysis

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
__pycache__		__pycache__
2kplpot.gp		2kplpot.gp
VASPAuto.sh		VASPAuto.sh
a.xyz		a.xyz
angle_hist.py		angle_hist.py
angle_hist_half.py		angle_hist_half.py
angle_poss.py		angle_poss.py
atom_density_cal.py		atom_density_cal.py
auto_xyz2pos2ex.py		auto_xyz2pos2ex.py
cd		cd
converge_md.py		converge_md.py
cp2kAuto.sh		cp2kAuto.sh
cp2k_pos.py		cp2k_pos.py
density.py		density.py
ener.py		ener.py
extend.py		extend.py
fix.py		fix.py
hist_test.py		hist_test.py
idpp.py		idpp.py
libyao.py		libyao.py
libyao.pyc		libyao.pyc
metaplot.py		metaplot.py
move.py		move.py
raw_to_set.sh		raw_to_set.sh
single_H.py		single_H.py
sort.py		sort.py
urutoralib.py		urutoralib.py
variance_meta.py		variance_meta.py
water_inf.py		water_inf.py
wf.py		wf.py
xyz_convert.py		xyz_convert.py