pele.optimize._mylbfgs#

class pele.optimize._mylbfgs.MYLBFGS[source]

Source

class MYLBFGS(LBFGS):

minimize a function using the LBFGS routine

this class inherits everything from the pythonic LBFGS except the implementation of the LBFGS algorithm (determining an appropriate step size and direction). This is reimplemented using the Fortran code from GMIN.

Parameters:
see base class LBFGS

See also

LBFGS

base class

MYLBFGS.getStep()[source]

Source

def getStep(self, X, G):

use the Fortran MYLBFGS code from GMIN to update the LBFGS memory and get the step size and direction.