Python PHQpoints示例

示例#1

class PHInput(QEInput):
    def __init__(self, filename=None, config=None):
        QEInput.__init__(self,filename, config, type='ph')
        self.qpoints = PHQpoints(self)


    def parse(self):
        """ Parses the configuration file and stores the values in qe dictionary
            Initializes structure as well"""
        (self.header, self.namelists, self.cards, self.attach) = self.parser.parse()
        self.qpoints.parse()

示例#2

class PHInput(QEInput):
    def __init__(self, filename=None, config=None):
        QEInput.__init__(self, filename, config, type='ph')
        self.qpoints = PHQpoints(self)

    def parse(self):
        """ Parses the configuration file and stores the values in qe dictionary
            Initializes structure as well"""
        (self.header, self.namelists, self.cards,
         self.attach) = self.parser.parse()
        self.qpoints.parse()

示例#3

 def __init__(self, filename=None, config=None):
     QEInput.__init__(self,filename, config, type='ph')
     self.qpoints = PHQpoints(self)

示例#4

文件： phinput.py 项目： danse-inelastic/AbInitio

 def __init__(self, filename=None, config=None, setting = None, parse = True):
     self.qpoints = PHQpoints(self)
     
     QESInput.__init__(self,filename, config, type = 'ph', setting = setting,\
                                                               parse = parse)         

示例#5

文件： phinput.py 项目： nityasagarjena/AbInitio

    def __init__(self, filename=None, config=None, setting=None, parse=True):
        self.qpoints = PHQpoints(self)

        QESInput.__init__(self,filename, config, type = 'ph', setting = setting,\
                                                                  parse = parse)

示例#6

 def __init__(self, filename=None, config=None):
     QEInput.__init__(self, filename, config, type='ph')
     self.qpoints = PHQpoints(self)