derivList
index
derivList.py

container for atomic derivative information.
 
An object which contains derivatives with respect to atomic position. 
 
constructor:
  DerivList()
 
Methods
 
  
  init(simulation) - allocate and zero array corresponding to the specified
                     simulation.Simulation.
 
  clear()          - zero out all existing arrays.
 
  get(simulation)  - returns a cdsVector.CDSVector_Vec3 corresponding
                     to the derivatives of coordinates in the specified
                     simulation.Simulation.
 
 

 
Classes
       
__builtin__.object
DerivList
DerivListPtr

 
class DerivList(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_DerivList>)
__getattr__ lambda self, name
__getitem__(*args)
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
__setitem__(*args)
clear(*args)
get(*args)
help(*args)
init(*args)

Properties defined here:
derivList
get = DerivList_derivList_get(...)
set = DerivList_derivList_set(...)

Data and other attributes defined here:
__dict__ = <dictproxy object at 0xee96e0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'derivList': <built-in function DerivList_derivList_get>}
__swig_setmethods__ = {'derivList': <built-in function DerivList_derivList_set>}
__weakref__ = <attribute '__weakref__' of 'DerivList' objects>
list of weak references to the object (if defined)

 
class DerivListPtr(DerivList)
    
Method resolution order:
DerivListPtr
DerivList
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from DerivList:
__del__(self, destroy=<built-in function delete_DerivList>)
__getattr__ lambda self, name
__getitem__(*args)
__repr__(self)
__setattr__ lambda self, name, value
__setitem__(*args)
clear(*args)
get(*args)
help(*args)
init(*args)

Properties inherited from DerivList:
derivList
get = DerivList_derivList_get(...)
set = DerivList_derivList_set(...)

Data and other attributes inherited from DerivList:
__dict__ = <dictproxy object at 0xee9e50>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'derivList': <built-in function DerivList_derivList_get>}
__swig_setmethods__ = {'derivList': <built-in function DerivList_derivList_set>}
__weakref__ = <attribute '__weakref__' of 'DerivList' objects>
list of weak references to the object (if defined)

 
Functions
       
help(...)