示例#1
0
文件: IRC.py 项目: zhoutf/ASE_ANI
 def todoct(self):
     d = Optimizer.todict()
     for attr in self._dump_attr:
         if hasattr(self, attr):
             d.update(attr, getattr(self, attr))
     return d
示例#2
0
文件: bfgs.py 项目: rosswhitfield/ase
 def todict(self):
     d = Optimizer.todict(self)
     if hasattr(self, 'maxstep'):
         d.update(maxstep=self.maxstep)
     return d
示例#3
0
 def todict(self):
     d = Optimizer.todict(self)
     if hasattr(self, 'maxstep'):
         d.update(maxstep=self.maxstep)
     return d
示例#4
0
文件: irc.py 项目: kevinmooreiii/ase
 def todict(self):
     d = Optimizer.todict(self)
     if hasattr(self, 'stepsize'):
         d.update(stepsize=self.stepsize)
     return d