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Package csb :: Package statistics :: Package samplers :: Package mc :: Module neqsteppropagator :: Class ReducedHamiltonian
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Class ReducedHamiltonian

source code

object --+
         |
        ReducedHamiltonian

Describes a reduced Hamiltonian (Hamiltonian, its position gradient and the system temperature)

Instance Methods
 
E(self, x)
Potential energy of the system, aka negative log probability		 source code
 
__call__(self, x)
Evaluates the reduced Hamiltionian at the state x		 source code
 
__init__(self, log_prob, gradient=None, temperature=1.0, mass_matrix=None)
x.__init__(...) initializes x; see help(type(x)) for signature		 source code
 
kinetic_energy(self, p)
Kinetic energy of the system		 source code
 
rkinetic_energy(self, p)
Reduced kinetic energy		 source code
 
rlog_prob(self, x)
Reduced log probability		 source code

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

Properties
  gradient
  log_prob
  mass_matrix
  temperature

Inherited from object: __class__

Method Details

E(self, x)

source code 

Potential energy of the system, aka negative log probability

Parameters:
  • x (1D numpy array) - position vector

__call__(self, x)
(Call operator)

source code 

Evaluates the reduced Hamiltionian at the state x

Parameters:
  • x (State) - system state

__init__(self, log_prob, gradient=None, temperature=1.0, mass_matrix=None)
(Constructor)

source code 

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:
  • log_prob (callable) - log probability of the PDF under consideration, that is, the negative potential energy of the system
  • gradient (callable) - gradient of the negative log probability of the PDF under consideration, that is, the gradient of the potential energy; function of position array and time
  • temperature (float) - system temperature
  • mass_matrix (InvertibleMatrix) - system mass matrix
Overrides: object.__init__
(inherited documentation)

kinetic_energy(self, p)

source code 

Kinetic energy of the system

Parameters:
  • p (1D numpy array) - system momentum vector

rkinetic_energy(self, p)

source code 

Reduced kinetic energy

Parameters:
  • p (1D numpy array) - system momentum vector

rlog_prob(self, x)

source code 

Reduced log probability

Parameters:
  • x (1D numpy array) - position vector

Property Details

gradient

Get Method:
unreachable.gradient(self)
Set Method:
unreachable.gradient(self, value)

log_prob

Get Method:
unreachable.log_prob(self)
Set Method:
unreachable.log_prob(self, value)

mass_matrix

Get Method:
unreachable.mass_matrix(self)
Set Method:
unreachable.mass_matrix(self, value)

temperature

Get Method:
unreachable.temperature(self)
Set Method:
unreachable.temperature(self, value)

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