derivList
index
derivList.py

container for atomic derivative information.
 
An object which contains derivatives with respect to atomic position. 
 
Notes on derivLists of EnsembleSimulations:
   they share their derivList w/ their member() and subSim()
   while other EnsembleMemberSimulations have their derivLists initialized, 
     these derivLists are generally not used.
 
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.
 
 
 
 
# This file was created automatically by SWIG.
# Don't modify this file, modify the SWIG interface instead.
# This file is compatible with both classic and new-style classes.

 
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 0x24ccfa0>

 
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 0x24cca98>

 
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(...)

 

 
Data
        __package__ = None
pyXplorHelp = Type help() for interactive help, or help(object) for help about object.