本文整理汇总了Python中ase.calculators.vasp.Vasp.run方法的典型用法代码示例。如果您正苦于以下问题：Python Vasp.run方法的具体用法？Python Vasp.run怎么用？Python Vasp.run使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类ase.calculators.vasp.Vasp的用法示例。
在下文中一共展示了Vasp.run方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: run
# 需要导入模块: from ase.calculators.vasp import Vasp [as 别名]
# 或者: from ase.calculators.vasp.Vasp import run [as 别名]
def run(self):
'''
Blocking/Non-blocing run method.
In blocking mode it just runs parent run method.
In non-blocking mode it raises the __NonBlockingRunException
to bail out of the processing of standard calculate method
(or any other method in fact) and signal that the data is not
ready to b collected.
'''
# This is only called from self.calculate - thus
# we do not need to change to working_dir
# since calculate already did
Vasp.run(self)
if not self.block :
#print('Interrupt processing of calculate', os.getcwd())
raise _NonBlockingRunException