Package interface :: Package integrator :: Package normal :: Module NormalModeRelax :: Class NormalModeRelax
[hide private]
[frames] | no frames]

Class NormalModeRelax

source code

    object --+            
             |            
    Integrator --+        
                 |        
StandardIntegrator --+    
                     |    
         MTSIntegrator --+
                         |
            object --+   |
                     |   |
   NormalModeUtilities --+
                         |
                        NormalModeRelax

Nested Classes [hide private]
  _s
Instance Methods [hide private]
 
__setattr__(self, name, value) source code
 
__getattr__(self, name) source code
 
__repr__(self)
repr(x)
source code
 
__init__(self, *args) source code
 
__swig_destroy__(...)
 
__del__(self) source code
 
getIdNoAlias(self) source code
 
getParameterSize(self) source code
 
getParameters(self, *args) source code
 
initialize(self, *args) source code
 
run(self, *args) source code
 
appInit(self, *args) source code

Inherited from MTSIntegrator: getTimestep, make, next

Inherited from StandardIntegrator: calculateForces, doDriftOrNextIntegrator, doHalfKick, doKick, initializeForces, previous

Inherited from Integrator: adoptMediForceModifier, adoptPostDriftOrNextModifier, adoptPostForceModifier, adoptPostStepModifier, adoptPreDriftOrNextModifier, adoptPreForceModifier, adoptPreStepModifier, anyMediForceModify, anyPostDriftOrNextModify, anyPostForceModify, anyPostStepModify, anyPreDriftOrNextModify, anyPreForceModify, anyPreStepModify, backward, bottom, deleteExternalModifiers, forward, getBottomTimestep, getForceGroup, getForces, getIntegratorDefinition, getIntegratorDefinitionAll, getScope, isForward, level, removeModifier, restoreForces, saveForces, size, top, uncache, updateBeta

Inherited from NormalModeUtilities: cartSpaceProj, forceProjection, modeSpaceProj, nonSubspaceForce, nonSubspacePosition, setIntegratorSetPointers, subSpaceSift, subspaceForce, subspaceVelocity

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

Class Variables [hide private]
  __swig_setmethods__ = {'Q': <built-in function NormalModeUtili...
  __swig_getmethods__ = {'Q': <built-in function NormalModeUtili...
  keyword = 'NormalModeRelax'

Inherited from Integrator: scope

Inherited from NormalModeUtilities: COMPLIMENT_FORCES, GEN_COMP_NOISE, NO_NM_FLAGS

Properties [hide private]
  avItrs
  avMinForceCalc
  itrs
  numSteps

Inherited from Integrator: myBeta, myPotEnergy

Inherited from NormalModeUtilities: Q, diagAt, eigValP, eigVecChangedP, firstMode, gaussRandCoord1, genCompNoise, myGamma, mySeed, myTemp, newDiag, numEig, numEigvectsu, numMode, temp2V3DBlk, tempV3DBlk, tmpC

Inherited from NormalModeUtilities (private): _3N, _N, _rfM

Inherited from object: __class__

Method Details [hide private]

__setattr__(self, name, value)

source code 
Overrides: MTSIntegrator.__setattr__

__getattr__(self, name)
(Qualification operator)

source code 
Overrides: MTSIntegrator.__getattr__

__repr__(self)
(Representation operator)

source code 

repr(x)

Overrides: _swig_repr

__init__(self, *args)
(Constructor)

source code 
Overrides: MTSIntegrator.__init__

__swig_destroy__(...)

 
Overrides: _NormalModeRelax.delete_MTSIntegrator

__del__(self)
(Destructor)

source code 
Overrides: MTSIntegrator.__del__

getIdNoAlias(self)

source code 
Overrides: MTSIntegrator.getIdNoAlias

getParameters(self, *args)

source code 
Overrides: MTSIntegrator.getParameters

initialize(self, *args)

source code 
Overrides: MTSIntegrator.initialize

run(self, *args)

source code 
Overrides: StandardIntegrator.run

Class Variable Details [hide private]

__swig_setmethods__

Value:
{'Q': <built-in function NormalModeUtilities_Q_set>,
 '_3N': <built-in function NormalModeUtilities__3N_set>,
 '_N': <built-in function NormalModeUtilities__N_set>,
 '_rfM': <built-in function NormalModeUtilities__rfM_set>,
 'avItrs': <built-in function NormalModeRelax_avItrs_set>,
 'avMinForceCalc': <built-in function NormalModeRelax_avMinForceCalc_s\
et>,
 'diagAt': <built-in function NormalModeUtilities_diagAt_set>,
...

__swig_getmethods__

Value:
{'Q': <built-in function NormalModeUtilities_Q_get>,
 '_3N': <built-in function NormalModeUtilities__3N_get>,
 '_N': <built-in function NormalModeUtilities__N_get>,
 '_rfM': <built-in function NormalModeUtilities__rfM_get>,
 'avItrs': <built-in function NormalModeRelax_avItrs_get>,
 'avMinForceCalc': <built-in function NormalModeRelax_avMinForceCalc_g\
et>,
 'diagAt': <built-in function NormalModeUtilities_diagAt_get>,
...

Property Details [hide private]

avItrs

Get Method:
_NormalModeRelax.NormalModeRelax_avItrs_get(...)
Set Method:
_NormalModeRelax.NormalModeRelax_avItrs_set(...)

avMinForceCalc

Get Method:
_NormalModeRelax.NormalModeRelax_avMinForceCalc_get(...)
Set Method:
_NormalModeRelax.NormalModeRelax_avMinForceCalc_set(...)

itrs

Get Method:
_NormalModeRelax.NormalModeRelax_itrs_get(...)
Set Method:
_NormalModeRelax.NormalModeRelax_itrs_set(...)

numSteps

Get Method:
_NormalModeRelax.NormalModeRelax_numSteps_get(...)
Set Method:
_NormalModeRelax.NormalModeRelax_numSteps_set(...)