Ejemplos de PHQpoints en Python

Ejemplo n.º 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()

Ejemplo n.º 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()

Ejemplo n.º 3

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

Ejemplo n.º 4

Archivo: phinput.py Proyecto: 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)         

Ejemplo n.º 5

Archivo: phinput.py Proyecto: 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)

Ejemplo n.º 6

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