Package interface :: Package force :: Package nonbonded :: Module SimpleFullForce :: Class ScalarStructure
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Class ScalarStructure

source code

object --+
         |
        ScalarStructure

Instance Methods [hide private]
 
__setattr__(self, name, value)
x.__setattr__('name', value) <==> x.name = value
source code
 
__getattr__(self, name) source code
 
__repr__(self)
repr(x)
source code
 
__init__(self)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature
source code
 
clear(self) source code
 
intoAdd(self, *args) source code
 
intoAssign(self, *args) source code
 
intoSubtract(self, *args) source code
 
potentialEnergy(self) source code
 
pressure(self, *args) source code
 
molecularPressure(self, *args) source code
 
deltaMu(self) source code
 
addMolVirial(self, *args) source code
 
addVirial(self, *args) source code
 
molecularVirial(self, *args) source code
 
output(self, *args) source code
 
virial(self, *args) source code
 
trajectory(self, *args) source code
 
__swig_destroy__(...)
 
__del__(self) source code

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  __swig_setmethods__ = {}
  __swig_getmethods__ = {}
  FIRST = 0
  COULOMB = 0
  LENNARDJONES = 1
  BOND = 2
  ANGLE = 3
  DIHEDRAL = 4
  IMPROPER = 5
  OTHER = 6
  VIRIALXX = 7
  VIRIALXY = 8
  VIRIALXZ = 9
  VIRIALYX = 10
  VIRIALYY = 11
  VIRIALYZ = 12
  VIRIALZX = 13
  VIRIALZY = 14
  VIRIALZZ = 15
  MOLVIRIALXX = 16
  MOLVIRIALXY = 17
  MOLVIRIALXZ = 18
  MOLVIRIALYX = 19
  MOLVIRIALYY = 20
  MOLVIRIALYZ = 21
  MOLVIRIALZX = 22
  MOLVIRIALZY = 23
  MOLVIRIALZZ = 24
  COULOMB_DELTAMU = 25
  LENNARDJONES_DELTAMU = 26
  BOND_DELTAMU = 27
  ANGLE_DELTAMU = 28
  DIHEDRAL_DELTAMU = 29
  IMPROPER_DELTAMU = 30
  CQFLUCTUATION = 31
  DELTATIME = 32
  LAMBDA_TEMPERATURE = 33
  INTEGRATOR = 34
  LASTREDUCE = 35
  SHADOW = 35
  LAST = 36
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__setattr__(self, name, value)

source code 

x.__setattr__('name', value) <==> x.name = value

Overrides: object.__setattr__
(inherited documentation)

__repr__(self)
(Representation operator)

source code 

repr(x)

Overrides: object.__repr__
(inherited documentation)

__init__(self)
(Constructor)

source code 

x.__init__(...) initializes x; see x.__class__.__doc__ for signature

Overrides: object.__init__
(inherited documentation)