def prepare(self):
# read template & create input gamess file
myjob = gms_create(self.config)
myjob.modify(jobtype="dimer")
myjob.wrt_input()
return
def prepare(self):
# read template & create input gamess file
myjob = gms_create(self.config)
myjob.modify(jobtype = "dimer")
myjob.wrt_input()
return
def prepare(self):
"""
generate gaussian input file
based on template (user) or parameter (auto)
"""
# read template & create input gaussian file
myjob = gms_create(self.config)
myjob.modify(jobtype="td")
myjob.wrt_input()
return
def prepare(self):
"""
prepare gaussian input data
based on template (user) or parameter (auto)
"""
# read template & create input gaussian file
myjob = gms_create(self.config)
myjob.modify(jobtype = "td")
myjob.wrt_input()
return
