derivList
index
/home/schwitrs/bzr-repo/xplor-python3/bin.Linux_x86_64/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 automatically generated by SWIG (http://www.swig.org).
# Version 4.0.2
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.

 
Classes
       
builtins.object
DerivList

 
class DerivList(builtins.object)
    DerivList(*args, **kwargs)
 

 
  Methods defined here:
__getitem__(self, *args) -> 'Vec3'
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
__setitem__(self, *args) -> 'void'
clear(self, *args, **kwargs) -> 'void'
get(self, *args, **kwargs) -> 'CDSVector< Vec3 > &'
init(self, *args, **kwargs) -> 'void'
pyXplorHelp(self, *args, **kwargs) -> 'String'
sync(self, *args, **kwargs) -> 'void'

Static methods defined here:
__swig_destroy__ = delete_DerivList(...)

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
derivList

 
synced

 
thisown

 
The membership flag

 
Functions
       
pyXplorHelp(*args) -> 'String'