pele.optimize.LBFGS_CPP

class pele.optimize.LBFGS_CPP

This class is the python interface for the c++ LBFGS implementation

Methods

get_maxiter()
get_niter()
get_result()	return a results object
get_state()	return the LBFGS memory, see set_state
one_iteration()
reset(coords)
run([niter])
set_H0(H0)
set_state(state)	restore the LBFGS memory from get_state of an optimizer with the same size and M
stop_criterion_satisfied()

Attributes

events
res