The Home Society of Chemistry
Xiaotian Zhang’s Inerpage

Xiaotian Zhang’s Inerpage

ver1.0.1 : for python ver3.8 and later

ver.1.0.2 : Compatible with earlier versions of python

ionsrp.py : Summary for *.mol2

getxyz.sh : generate /xyz/*.gjf from /log*.log

hzxyz.py : generate xyz.txt from /xyz/*gjf