def analyze(self):
"""
read ao overlap matrix
"""
gau = gau_parser(self.config)
gau.get_ao()
return
def analyze(self):
"""
for surface hopping like calc., the required QC information was extraced.
"""
gau = gau_parser(self.config)
# @check correction first
gau.get_td()
return
def analyze(self):
"""
for surface hopping like calc., the required QC information was extraced.
"""
gau = gau_parser(self.config)
# @check correction first
gau.get_td_dat()
return
def analyze(self):
"""
extract data used for surface hopping dynamics.,
the required QC information was extraced.
"""
gau = gau_parser(self.config)
# @check correction first
gau.get_td_dat()
return
def analyze(self):
"""
extract data used for surface hopping dynamics.,
the required QC information was extraced.
"""
gau = gau_parser(self.config)
# @check correction first
gau.get_td_dat()
return